Hydrochloric Acid

Hydrochloric Acid

SCHEMBL737245

CC(C)C[C@H](N)C(O)C(=O)O.Cl

nearest known ligand 0.54

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
CACNA2D1 known ✓ P54289 2/20 0.38
CACNB3 known ✓ P54284 1/20 0.38
CACNA1C known ✓ Q13936 1/20 0.38
ADRA1A known ✓ P35348 1/20 0.38
HTR2B known ✓ P41595 1/20 0.38
CACNA2D2 known ✓ Q9NY47 1/20 0.38
SLC7A5 Q01650 1/20 0.54
ANPEP P15144 2/20 0.52
DNPEP Q9ULA0 1/20 0.52
SLC1A3 P43003 3/20 0.47
SLC1A2 P43004 3/20 0.47
RNPEP Q9H4A4 1/20 0.43
LAP3 P28838 4/20 0.42
SLC1A1 P43005 2/20 0.39
TSHR P16473 1/20 0.39
PEPD P12955 1/20 0.38
TP53 P04637 1/20 0.38
ENPEP Q07075 1/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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 SCHEMBL9514577 1.00 SLC7A5 (0.54) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL9370266 1.00 SLC7A5 (0.54) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL9514582 1.00 SLC7A5 (0.54) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL2452941 0.98 SLC7A5 (0.56) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL2031045 0.98 SLC7A5 (0.56) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL2029393 0.98 SLC7A5 (0.56) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL2034368 0.98 SLC7A5 (0.56) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL2033220 0.98 SLC7A5 (0.56) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL1247473 0.98 SLC7A5 (0.56) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL762515 0.98 SLC7A5 (0.56) SLC7A5ANPEPDNPEPSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498411-B9 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-12-04 EP disclosed
EP-1498411-B1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-16 EP disclosed
US-8138182-B2 Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-20 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-7144901-B2 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO.,LTD. (JP) 2006-12-05 US disclosed
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-25 US disclosed
EP-1498411-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-19 EP disclosed
US-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 US disclosed
US-6797720-B2 1,3,4-oxadiazoline derivative and an agent comprising its derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-28 US disclosed
US-20030166574-A1 1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
EP-1234820-A1 OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 EP disclosed
EP-1234821-A1 1,3,4-OXADIAZOLINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 EP disclosed
US-4857650-A Novel renin inhibitory amino acid derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 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 (6 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-20040204368-A1 Oxadiazole derivative compounds and drugs containing these compounds as the active ingredient ACIN1, CASP3, CASP7 CACNA2D1 845/4885CACNB3 3925/4885CACNA1C 4356/4885
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT SERPINB1, CTSZ, ELANE CACNA2D1 2197/4885CACNB3 4217/4885CACNA1C 3557/4885
US-20030166574-A1 1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient ACIN1, CASP7, SERPINE1 CACNA2D1 3135/4885CACNB3 4568/4885CACNA1C 4569/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 CACNA2D1 1952/4885CACNB3 4189/4885CACNA1C 4275/4885
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient SERPINB1, CTSZ, SERPINE1 CACNA2D1 1799/4885CACNB3 3898/4885CACNA1C 3131/4885
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ACIN1, CASP7, ASNS CACNA2D1 2391/4885CACNB3 4586/4885CACNA1C 4427/4885

“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.