Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5380359

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CCN2CCCC1C2.Cl

nearest known ligand 0.73

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
HTR3A known ✓ P46098 7/20 0.73
HTR3E known ✓ A5X5Y0 4/20 0.73
HTR3B known ✓ O95264 4/20 0.73
HTR3D known ✓ Q70Z44 4/20 0.73
HTR3C known ✓ Q8WXA8 4/20 0.73
HTR5A known ✓ P47898 1/20 0.56
DRD4 known ✓ P21917 8/20 0.53
DRD2 known ✓ P14416 4/20 0.53
DRD3 known ✓ P35462 4/20 0.53
ADRB2 known ✓ P07550 1/20 0.49
ADRB1 known ✓ P08588 1/20 0.49
HTR1A known ✓ P08908 1/20 0.49
ADRA2A known ✓ P08913 1/20 0.49
ADRA2B known ✓ P18089 1/20 0.49
ADRA2C known ✓ P18825 1/20 0.49
CHRM3 known ✓ P20309 1/20 0.49
SLC6A2 known ✓ P23975 1/20 0.49
HTR2A known ✓ P28223 1/20 0.49
HTR2C known ✓ P28335 1/20 0.49
SLC6A4 known ✓ P31645 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
SCHEMBL14490802 0.99 HTR3A (0.74) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7278968 0.88 MAPK1 (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5367707 0.85 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5765864 0.85 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5371909 0.85 HTR3A (0.98) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5371617 0.85 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL5767174 0.85 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL4534994 0.84 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL678616 0.84 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Renzapride SCHEMBL17037 0.84 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135641-A1 Synthesis PALMER RICHARD M J 2007-06-14 US disclosed
US-7189852-B2 Preparing renzapride (hydrochloride) on a laboratory or industrial scale by a simplified process of forming the acyl chloride derivative of 2-(methoxy),3-acyamino,5-chlorobenzoic acid by reacting oxalyl or thionyl chloride in a solvent, e.g. dimethylformamide; coupling with 1-diazabicylo(3.3.1)nonane ALIZYME THERAPEUTICS LIMITED (GB) 2007-03-13 US disclosed
EP-1664048-A2 PROCESS FOR THE PREPARATION OF RENZAPRIDE AND INTERMEDIATES THEREOF Alizyme Therapeutics Limited (GB) 2006-06-07 EP disclosed
WO-2005023808-A2 PROCESS FOR THE PREPARATION OF RENZAPRIDE AND INTERMEDIATES THEREOF ALIZYME THERAPEUTICS LIMITED (GB) 2005-03-17 WO disclosed
US-20050049416-A1 Synthesis ENDOLOGIC LLC 2005-03-03 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 (2 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-20050049416-A1 Synthesis ALKBH5, AZI2, ALKBH1 HTR3A 602/4885HTR3E 953/4885HTR3B 795/4885
US-20070135641-A1 Synthesis ALKBH5, AZI2, ALKBH1 HTR3A 602/4885HTR3E 953/4885HTR3B 795/4885

“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.