Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5791576

Cc1[nH]c2ccc(O)cc2c1CCN.Cl

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 known ✓ P50406 5/20 0.97
HTR7 known ✓ P34969 5/20 0.97
HTR1D known ✓ P28221 4/20 0.97
HTR3A known ✓ P46098 2/20 0.97
HTR2B known ✓ P41595 3/20 0.51
HTR1A known ✓ P08908 3/20 0.51
HTR2A known ✓ P28223 2/20 0.51
HTR2C known ✓ P28335 2/20 0.51
HTR1E known ✓ P28566 2/20 0.49
HTR5A known ✓ P47898 2/20 0.49
HTR3E known ✓ A5X5Y0 1/20 0.49
HTR3B known ✓ O95264 1/20 0.49
DRD1 known ✓ P21728 1/20 0.49
HTR1B known ✓ P28222 1/20 0.49
HTR1F known ✓ P30939 1/20 0.49
DRD3 known ✓ P35462 1/20 0.49
SLC18A2 known ✓ Q05940 1/20 0.49
HTR4 known ✓ Q13639 1/20 0.49
HTR3D known ✓ Q70Z44 1/20 0.49
HTR3C known ✓ Q8WXA8 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29361176 0.98 HTR6 (1.00) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL399028 0.98 HTR6 (1.00) HTR6HTR7HTR1DCYP1A2CYP3A4
Fumaric Acid SCHEMBL1320838 0.88 NPSR1 (1.00) HTR6HTR7HTR1DCYP1A2CYP3A4
Maleic Acid SCHEMBL1320833 0.88 NPSR1 (1.00) HTR6HTR7HTR1DCYP1A2CYP3A4
Serotonin SCHEMBL27310578 0.87 HTR1D (0.78) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL21374161 0.84 HTR7 (0.74) HTR6HTR7HTR1DCYP1A2CYP3A4
SCHEMBL7886752 0.82 HTR1D (0.71) HTR6HTR7HTR1DCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL21546038 0.81 HTR6 (0.66) HTR6HTR7HTR1DCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4659167 0.81 HTR6 (0.66) HTR6HTR7HTR1DCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL892350 0.81 HTR6 (0.67) HTR6HTR7HTR1DCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660079-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2006-05-31 EP claimed
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 US claimed
WO-2005018569-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
US-12180509-B2 Methods for reprograming non-pluripotent cells into pluripotent stem cells BEIHAO STEM CELL AND REGENERATIVE MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-12-31 US disclosed
EP-3384007-B1 IMPROVED METHODS FOR REPROGRAMING NON-PLURIPOTENT CELLS INTO PLURIPOTENT STEM CELLS BEIHAO STEM CELL AND REGENERATIVE MEDICINE RES INSTITUTE CO LTD (CN) 2024-03-27 EP disclosed
CN-111050800-B Treatment of pain with serotonin 3 receptor agonists 国立大学法人大阪大学 2023-04-04 CN disclosed
US-11446290-B2 Treatment of pain with serotonin-3 receptor agonist OSAKA UNIVERSITY (JP) 2022-09-20 US disclosed
US-20220025321-A1 METHODS FOR REPROGRAMING NON-PLURIPOTENT CELLS INTO PLURIPOTENT STEM CELLS HONG GUAN LTD. (CN) 2022-01-27 US disclosed
US-20210145814-A1 TREATMENT OF PAIN WITH SEROTONIN-3 RECEPTOR AGONIST OSAKA UNIVERSITY (JP) 2021-05-20 US disclosed
EP-3646886-A1 TREATMENT OF PAIN WITH SEROTONIN-3 RECEPTOR AGONIST Osaka University (JP) 2020-05-06 EP disclosed
CN-111050800-A Treatment of pain with serotonin 3 receptor agonists 国立大学法人大阪大学 2020-04-21 CN disclosed
EP-1423006-A4 AGONISTS AND ANTAGONISTS OF 5H 3?-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMW SCIENT IND RES ORG (AU) 2006-02-01 EP disclosed
CN-1638633-A Agonists and antagonists of 5h3-like receptors of invertebrates as pesticides COMMW SCIENT IND RES ORG (AU) 2005-07-13 CN disclosed
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia PHARMACIA CORPORATION 2005-04-21 US disclosed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US disclosed
US-20050054680-A1 Agonists and antagonists of 5h3-like receptors of invertebrates as pesticides COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-03-10 US disclosed
WO-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005018569-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
EP-1423006-A1 AGONISTS AND ANTAGONISTS OF 5H 3?-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-06-02 EP disclosed
WO-2003015517-A1 AGONISTS AND ANTAGONISTS OF 5H3-LIKE RECEPTORS OF INVERTEBRATE S AS PESTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2003-02-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050085477-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of neoplasia TPH2, TPH1, HTR2A HTR6 10/4885HTR7 19/4885HTR1D 35/4885
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A HTR6 11/4885HTR7 25/4885HTR1D 46/4885
US-20220025321-A1 METHODS FOR REPROGRAMING NON-PLURIPOTENT CELLS INTO PLURIPOTENT STEM CELLS AHCY, BHMT, SHMT1 HTR6 1984/4885HTR7 2384/4885HTR1D 3639/4885
US-11446290-B2 Treatment of pain with serotonin-3 receptor agonist HTR3A, HTR3C, HTR3B HTR6 20/4885HTR7 14/4885HTR1D 7/4885
US-20050054680-A1 Agonists and antagonists of 5h3-like receptors of invertebrates as pesticides HTR3C, HTR3A, HTR3E HTR6 18/4885HTR7 13/4885HTR1D 10/4885
US-20210145814-A1 TREATMENT OF PAIN WITH SEROTONIN-3 RECEPTOR AGONIST HTR3A, HTR3C, HTR3B HTR6 20/4885HTR7 14/4885HTR1D 7/4885
US-12180509-B2 Methods for reprograming non-pluripotent cells into pluripotent stem cells AHCY, BHMT, SHMT1 HTR6 1984/4885HTR7 2384/4885HTR1D 3639/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.