Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1078403

COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(C(C)NS(C)(=O)=O)CC1.Cl

nearest known ligand 0.68

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 11)

geneUniProtsupporting neighboursconfidence
HTR4 known ✓ Q13639 15/20 0.68
ACHE known ✓ P22303 10/20 0.64
SIGMAR1 known ✓ Q99720 1/20 0.61
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
KMT2A Q03164 2/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C19 P33261 1/20 0.68
TSHR P16473 1/20 0.61

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
SCHEMBL548885 0.99 HTR4 (0.69) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL7644209 0.84 HTR4 (0.60) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1078401 0.82 HTR4 (0.98) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7356881 0.82 HTR4 (0.98) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7358764 0.81 HTR4 (0.78) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8600559 0.81 HTR4 (0.71) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL548884 0.81 HTR4 (1.00) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL17709637 0.81 HTR4 (0.72) HTR4MEN1ALDH1A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7362378 0.81 HTR4 (0.88) HTR4MEN1ALDH1A1CYP2D6CYP2C9
SCHEMBL7350297 0.81 HTR4 (1.00) HTR4MEN1ALDH1A1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9168250-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2015-10-27 US disclosed
US-8859537-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-10-14 US disclosed
US-20130274293-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY UNIVERSITÉ DE NÎMES (FR) 2013-10-17 US disclosed
US-8436021-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2013-05-07 US disclosed
EP-1556489-B1 PHARMACEUTICAL COMPOSITION FOR PREPARING A MEDICINE FOR TREATING AND/OR PREVENTING A PATHOLOGY RELATED TO AN OBSESSIVE BEHAVIOUR OR OBESITY CENTRE NAT RECH SCIENT (FR) 2011-01-26 EP disclosed
US-20090124592-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY CENTRE NAT DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-05-14 US disclosed
US-20060116341-A1 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS, AN ORGANIZATION OF FRANCE (FR) 2006-06-01 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 (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-20130274293-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY OPRL1, HTR4, OPRM1 HTR4 2/4885ACHE 1546/4885SIGMAR1 114/4885

“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.