Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5371103

CC1CCN(C2CCC(N(C)S(=O)(=O)c3cccc(O)c3)C2)CC1.Cl

nearest known ligand 0.45

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
▸ HTR2A known ✓ P28223 5/20 0.44
▸ HTR2C known ✓ P28335 5/20 0.44
▸ HTR7 known ✓ P34969 4/20 0.43
▸ DRD3 known ✓ P35462 3/20 0.43
▸ HTR1B known ✓ P28222 2/20 0.43
▸ HTR5A known ✓ P47898 2/20 0.43
▸ ADRA2A known ✓ P08913 1/20 0.43
▸ ADRA2B known ✓ P18089 1/20 0.43
▸ ADRA2C known ✓ P18825 1/20 0.43
▸ OPRM1 known ✓ P35372 1/20 0.43
▸ OPRK1 known ✓ P41145 1/20 0.43
▸ DRD2 known ✓ P14416 2/20 0.41
▸ HTR1D known ✓ P28221 2/20 0.41
▸ HTR1A known ✓ P08908 1/20 0.41
▸ HTR2B known ✓ P41595 1/20 0.41
▸ HTR6 known ✓ P50406 1/20 0.41
▸ HTR4 known ✓ Q13639 1/20 0.41
▸ CACNA1B known ✓ Q00975 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 1/20 0.45

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
Hydrochloric Acid SCHEMBL5371107 1.00 ALDH1A1 (0.45) ALDH1A1LMNAPOLBL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL5371111 1.00 ALDH1A1 (0.45) ALDH1A1LMNAPOLBL3MBTL1HTR2A
SCHEMBL5379626 0.99 HTR2A (0.45) ALDH1A1LMNAPOLBL3MBTL1HTR2A
SCHEMBL5379614 0.99 HTR2A (0.45) ALDH1A1LMNAPOLBL3MBTL1HTR2A
SCHEMBL5379617 0.99 HTR2A (0.45) ALDH1A1LMNAPOLBL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL5379758 0.88 HTR2A (0.59) ALDH1A1LMNAPOLBL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL5379753 0.88 HTR2A (0.59) ALDH1A1LMNAPOLBL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL5379765 0.88 HTR2A (0.59) ALDH1A1LMNAPOLBL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL5372411 0.87 HTR2A (0.60) ALDH1A1LMNAPOLBL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL5374766 0.87 HTR2A (0.44) ALDH1A1LMNAPOLBL3MBTL1HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003048118-A1 5-HT7 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2003-06-12 — — WO claimed
US-7276607-B2 5-HT7 receptor antagonists MERCK SHARP & DOHME LIMITED (GB) 2007-10-02 — — US disclosed
US-20050080077-A1 5-ht7 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2005-04-14 — — US disclosed
WO-2003048118-A1 5-HT7 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2003-06-12 — — 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 (1 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-20050080077-A1 5-ht7 receptor antagonists HTR7, HTR2B, HTR1A HTR2A 13/4885HTR2C 4/4885HTR7 1/4885

“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.

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