Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2311096

COc1cc2c3c(c1OC)CCC3N(CCCNS(=O)(=O)c1ccc3oc4ccccc4c3c1)CC2.Cl

nearest known ligand 0.49

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
GAA known ✓ P10253 2/20 0.40
HTR7 known ✓ P34969 2/20 0.39
HTR1A known ✓ P08908 1/20 0.39
ADRA2A known ✓ P08913 1/20 0.39
DRD2 known ✓ P14416 1/20 0.39
HTR2A known ✓ P28223 1/20 0.39
HTR2C known ✓ P28335 1/20 0.39
HTR6 known ✓ P50406 1/20 0.39
HCRTR1 known ✓ O43613 1/20 0.39
HCRTR2 known ✓ O43614 1/20 0.39
ADRA1A known ✓ P35348 1/20 0.38
ADRA1B known ✓ P35368 1/20 0.38
HSD11B1 known ✓ P28845 1/20 0.37
HTT P42858 4/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 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
SCHEMBL13482155 0.99 HTT (0.49) HTTMAPTKDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL3184930 0.87 HTR7 (0.44) POLBHTR7HTR1AADRA2ADRD2
SCHEMBL13482132 0.86 HTR7 (0.45) POLBHTR7HTR1AADRA2ADRD2
Hydrochloric Acid SCHEMBL2309173 0.84 HTR7 (0.45) HTTHTR7HTR1AADRA2ADRD2
Hydrochloric Acid SCHEMBL2314947 0.84 HTT (0.45) HTTMAPTKDM4ELMNACYP1A2
Hydrochloric Acid SCHEMBL2307103 0.84 HTR7 (0.41) KMT2APOLBHTR7HTR1AADRA2A
SCHEMBL13482105 0.83 HTR7 (0.46) HTTHTR7HTR1AADRA2ADRD2
SCHEMBL13482093 0.83 HTT (0.46) HTTMAPTKDM4ELMNACYP1A2
SCHEMBL13482143 0.83 HTR7 (0.41) KMT2APOLBHTR7HTR1AADRA2A
Hydrochloric Acid SCHEMBL2306339 0.82 HTR1A (0.49) HPGDALDH1A1HTR7HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836172-B1 5-HT7 RECEPTOR ANTAGONISTS ESTEVE LABOR DR (ES) 2011-08-03 EP disclosed
US-7662862-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-16 US disclosed
US-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS JOVER ANTONI TORRENS 2009-10-22 US disclosed
US-7553965-B2 Central nervous system disorders; compounds are 3-sulfonamidoalkyl 2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylenes LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-06-30 US disclosed
US-20090036480-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-02-05 US disclosed
US-20060142321-A1 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-06-29 US 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 (3 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-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2B GAA 2446/4885HTR7 1/4885HTR1A 2/4885
US-20090036480-A1 5-Ht7 Receptor Antagonists HTR7, HTR1A, HTR2B GAA 2247/4885HTR7 1/4885HTR1A 2/4885
US-20060142321-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR2B GAA 2453/4885HTR7 1/4885HTR1A 2/4885

“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.