Hydrochloric Acid

Hydrochloric Acid

SCHEMBL297

CCCCC(=N)OCC.Cl

nearest known ligand 0.36

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 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
TP53 P04637 1/20 0.33
FAAH O00519 2/20 0.32
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32
CA1 P00915 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL4737714 0.97
Hydrochloric Acid SCHEMBL9310640 0.93 SPHK2 (0.44) CES1CES2ALDH1A1SPHK2SPHK1
SCHEMBL11206862 0.88 SPHK2 (0.50) CES1CES2ALDH1A1SPHK2SPHK1
Hydrochloric Acid SCHEMBL2418042 0.87 GAA (0.38) ALDH1A1SPHK2SPHK1FAAHDGKA
Hydrochloric Acid SCHEMBL2419949 0.87 GAA (0.38) ALDH1A1SPHK2SPHK1FAAHDGKA
Hydrochloric Acid SCHEMBL2420200 0.87 GAA (0.38) ALDH1A1SPHK2SPHK1FAAHDGKA
SCHEMBL8346390 0.87 ALDH1A1 (0.36) ALDH1A1SPHK2SPHK1FAAHDGKA
Hydrochloric Acid SCHEMBL1965409 0.84
SCHEMBL989725 0.84 GAA (0.39) CES1CES2ALDH1A1SPHK2SPHK1
SCHEMBL988320 0.84 GAA (0.39) CES1CES2ALDH1A1SPHK2SPHK1

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168655-B2 Apelin receptor agonists and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-17 US disclosed
CN-116332873-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
US-20220315569-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE BRISTOL MYERS SQUIBB CO (US) 2022-10-06 US disclosed
US-11390616-B2 Apelin receptor agonists and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-07-19 US disclosed
EP-3938038-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2022-01-19 EP disclosed
EP-3433247-B1 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-09-08 EP disclosed
US-20210198246-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE BRISTOL MYERS SQUIBB CO (US) 2021-07-01 US disclosed
EP-3468956-B1 6-HYDROXY-5-(PHENYL/HETEROARYLSULFONYL)PYRIMIDIN-4(1H)-ONES AS APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-03-03 EP disclosed
EP-3383860-B1 APELIN RECEPTOR AGONISTS AND METHODS OF USE BRISTOL MYERS SQUIBB CO (US) 2021-01-20 EP disclosed
EP-3390400-B1 HETEROARYLHYDROXYPYRIMIDINONES AS AGONISTS OF THE APJ RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2021-01-20 EP disclosed
US-5153197-A Treatment of hypertension with angiotensin II blocking imidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-06 US disclosed
US-5138069-A Treating hypertension and congestive heart failure E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-11 US disclosed
US-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed
EP-0483683-A2 Thienoimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-05-06 EP disclosed
EP-0434038-A1 Fused imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-06-26 EP disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed
EP-0407102-A1 Substituted imidazo-fused 5-membered ring heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-09 EP disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP disclosed
EP-0046349-A1 Clavulanic acid derivatives, their preparation and use BEECHAM GROUP PLC (GB) 1982-02-24 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 (4 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-11390616-B2 Apelin receptor agonists and methods of use APLNR, AP2B1, AP3B1 CES1 3998/4885CES2 4218/4885ALDH1A1 1981/4885
US-20210198246-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE APLNR, AP2B1, AP3B1 CES1 3998/4885CES2 4218/4885ALDH1A1 1981/4885
US-12168655-B2 Apelin receptor agonists and methods of use APLNR, AP2B1, AP3B1 CES1 3998/4885CES2 4218/4885ALDH1A1 1981/4885
US-20220315569-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE APLNR, AP2B1, AP3B1 CES1 3998/4885CES2 4218/4885ALDH1A1 1981/4885

“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.