Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7982604

Cc1cc(C(C)C)cc(C)c1N.Cl

nearest known ligand 0.50

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
PTGS1 known ✓ P23219 2/20 0.38
CACNA1C known ✓ Q13936 1/20 0.38
GAA known ✓ P10253 3/20 0.37
ADRA2A known ✓ P08913 1/20 0.34
ADRA2B known ✓ P18089 1/20 0.34
ADRA2C known ✓ P18825 1/20 0.34
ADRA1D known ✓ P25100 1/20 0.34
HTR1D known ✓ P28221 1/20 0.34
HTR1B known ✓ P28222 1/20 0.34
ADRA1A known ✓ P35348 1/20 0.34
ADRA1B known ✓ P35368 1/20 0.34
GABRA1 known ✓ P14867 1/20 0.33
GABRB2 known ✓ P47870 1/20 0.33
HTR2A known ✓ P28223 1/20 0.33
HTR2C known ✓ P28335 1/20 0.33
HTR2B known ✓ P41595 1/20 0.33
PTGS2 known ✓ P35354 1/20 0.31
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.50

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 SCHEMBL28293183 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL1183197 0.97 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL10342100 0.85 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL24115940 0.83 GABRA1 (0.43) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL14410285 0.81 ALDH1A1 (0.37) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL2153734 0.81 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL3688289 0.80 LMNA (0.42) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL9863794 0.80 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL22068491 0.78 ALDH1A1 (0.34) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL1595335 0.78 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641852-B Sulfonamides as GPR 40-and GPR 120-agonists 东佩制药股份公司 2022-08-26 CN disclosed
EP-3497085-B1 SULFONAMIDES AS GPR40- AND GPR120-AGONISTS DOMPE FARM SPA (IT) 2020-07-22 EP disclosed
EP-3497085-A1 SULFONAMIDES AS GPR40- AND GPR120-AGONISTS Dompé farmaceutici S.p.A. (IT) 2019-06-19 EP disclosed
US-20190169142-A1 SULFONAMIDES AS GPR40- AND GPR120-AGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2019-06-06 US disclosed
WO-2018029150-A1 SULFONAMIDES AS GPR40- AND GPR120-AGONISTS DOMPE' FARMACEUTICI S.P.A. (IT) 2018-02-15 WO disclosed
EP-3281937-A1 SULFONAMIDES AS GPR40- AND GPR120-AGONISTS Dompé farmaceutici S.p.A. (IT) 2018-02-14 EP disclosed
US-6288101-B1 ADMINISTERING COMPOUNDS SUCH AS 2,6-DIMETHYL-4-ISOPROPYLBENZALDEHYDE TO TREAT INDICATIONS WHERE STIMULATION OF SUBTYPES OF THE SEROTONIN RECEPTOR IS IMPLICATED, SUCH AS MIGRAINES VIRGINIA COMMONWEALTH UNIVERSITY 2001-09-11 US disclosed
US-6124338-A TREATING MIGRAINE HEADACHE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-09-26 US disclosed
US-6048862-A Benzylamidine derivatives with serotonin receptor binding activity VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-04-11 US disclosed
US-5969137-A TREATMENT OF NERVOUS SYSTEM DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-10-19 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-20190169142-A1 SULFONAMIDES AS GPR40- AND GPR120-AGONISTS GPR119, GPR88, GPR84 PTGS1 819/4885CACNA1C 3284/4885GAA 1383/4885

“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.