Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6840547

COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC(=O)O)CC1.Cl

nearest known ligand 0.79

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
HTR4 known ✓ Q13639 12/20 0.79
DRD4 known ✓ P21917 3/20 0.75
ADRA2A known ✓ P08913 1/20 0.75
DRD2 known ✓ P14416 1/20 0.75
ADRA2B known ✓ P18089 1/20 0.75
ADRA2C known ✓ P18825 1/20 0.75
ACHE known ✓ P22303 1/20 0.75
SLC6A2 known ✓ P23975 1/20 0.75
HTR2A known ✓ P28223 1/20 0.75
HTR2C known ✓ P28335 1/20 0.75
ADRA1A known ✓ P35348 1/20 0.75
DRD3 known ✓ P35462 1/20 0.75
OPRK1 known ✓ P41145 1/20 0.75
HTR2B known ✓ P41595 1/20 0.75
HTR3A known ✓ P46098 1/20 0.75
SLC6A3 known ✓ Q01959 1/20 0.75
PDE4D known ✓ Q08499 1/20 0.75
KCNH2 known ✓ Q12809 1/20 0.75
PDE3A known ✓ Q14432 1/20 0.75
CYP3A4 P08684 2/20 0.75

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 SCHEMBL30061342 1.00 HTR4 (0.79) HTR4DRD4CYP3A4CYP1A2ADRA2A
SCHEMBL6840623 0.99 HTR4 (0.80) HTR4DRD4CYP3A4CYP1A2ADRA2A
SCHEMBL6840670 0.95 HTR4 (0.76) HTR4DRD4CYP3A4CYP1A2ADRA2A
SCHEMBL9021864 0.93 DRD4 (0.77) HTR4DRD4CYP3A4CYP1A2ADRA2A
Hydrochloric Acid SCHEMBL9021484 0.90 HTR4 (0.80) HTR4DRD4CYP3A4CYP1A2ADRA2A
SCHEMBL9021668 0.89 HTR4 (0.81) HTR4DRD4CYP3A4CYP1A2ADRA2A
Hydrochloric Acid SCHEMBL6841284 0.88 HTR4 (0.76) HTR4DRD4CYP3A4CYP1A2ADRA2A
Hydrochloric Acid SCHEMBL9021661 0.88 HTR4 (0.79) HTR4DRD4CYP3A4CYP1A2ADRA2A
Hydrochloric Acid SCHEMBL6840714 0.87 HTR4 (0.72) HTR4DRD4CYP3A4CYP1A2ADRA2A
Hydrochloric Acid SCHEMBL9022167 0.87 HTR4 (0.81) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087622-A1 Benzamide derivative and medicament containing the same KATO HIDEO (JP) 2004-05-06 US disclosed
US-6638951-B1 Medicament has excellent enhancing action on gastrointestinal tract motility, and is orally available with reduced side effects, the agent for therapeutic treatment of digestive diseases, an agent for improving function of gastrointestinal HOKURIKU SEIYAKU CO., LTD. (JP) 2003-10-28 US disclosed
EP-1149832-B1 BENZAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU PHARMACEUTICAL (JP) 2003-01-02 EP disclosed
EP-1149832-A1 BENZAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2001-10-31 EP disclosed
EP-0640601-B1 BENZAMIDE DERIVATIVE HOKURIKU PHARMACEUTICAL (JP) 1996-12-04 EP disclosed
US-5500422-A FOR TREATING GASTROINTESTINAL DISEASES HOKURIKU SEIYAKU CO. LTD. (JP) 1996-03-19 US disclosed
US-5395832-A Gastrointestinal disorders HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-07 US disclosed
EP-0640601-A1 BENZAMIDE DERIVATIVE HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-01 EP 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-20040087622-A1 Benzamide derivative and medicament containing the same SLC10A2, FABP2, HDAC6 HTR4 598/4885DRD4 1433/4885ADRA2A 172/4885

“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.