Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4249059

Cc1ccnc(C)c1C(=O)O.Cl

nearest known ligand 0.39

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
CCR5 known ✓ P51681 7/20 0.39
KCNH2 known ✓ Q12809 1/20 0.36
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DYRK1A Q13627 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB1 P05556 1/20 0.36

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
SCHEMBL353204 0.98 KDM4E (0.40) KDM4EKMT2ACCR5L3MBTL1PDE10A
SCHEMBL9504653 0.96 KDM4E (0.39) KDM4EKMT2ACCR5L3MBTL1PDE10A
Hydrogen Peroxide SCHEMBL28248198 0.82 NTRK1 (0.48) KDM4EKMT2ACCR5TDP1ALDH1A1
Hydrochloric Acid SCHEMBL5012204 0.82 NTRK1 (0.44) CCR5TDP1SLC6A9CCR1CCR8
Hydrochloric Acid SCHEMBL5012214 0.82 NTRK1 (0.44) CCR5TDP1SLC6A9CCR1CCR8
Hydrochloric Acid SCHEMBL3283632 0.82 ITGB1 (0.36) CCR5TDP1ALDH1A1ITGB1ITGA4
SCHEMBL6628045 0.81 CSNK1A1 (0.38) KDM4EKMT2ACCR5CYP2C9CYP2C19
SCHEMBL31662998 0.81 CSNK1A1 (0.38) KDM4EKMT2ACCR5CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10561182 0.80 SMN1; SMN2 (0.52) KDM4EKMT2AL3MBTL1TDP1LMNA
SCHEMBL9684174 0.79 KDM4E (0.50) KDM4EKMT2ACCR5L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532496-A1 NOVEL PAR-2 INHIBITORS Domain Therapeutics (FR) 2025-04-09 EP disclosed
WO-2023233033-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2023-12-07 WO disclosed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
CN-100369888-C N-alkanoylphenylalanine derivatives HOFFMANN LA ROCHE (CH) 2008-02-20 CN disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-6992189-B2 Synthesis of piperidine and piperazine compounds as CCR5 antagonists SCHERING CORPORATION (US) 2006-01-31 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
US-20050187248-A1 Synthesis of piperidine and piperazine compounds as CCR5 antagonists LEONG WILLIAM (US) 2005-08-25 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed
EP-1490352-A1 SYNTHESIS OF PIPERIDINE AND PIPERAZINE COMPOUNDS AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2004-12-29 EP disclosed
US-20040024217-A1 Synthesis of piperidine and piperazine compounds as CCR5 antagonists SCHERING CORPORATION 2004-02-05 US disclosed
WO-2003084950-A1 SYNTHESIS OF PIPERIDINE AND PIPERAZINE COMPOUNDS AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2003-10-16 WO disclosed
CN-1281430-A N-alkanoylphenylalanine derivatives HOFFMANN LA ROCHE (CH) 2001-01-24 CN 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 (3 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-20050187248-A1 Synthesis of piperidine and piperazine compounds as CCR5 antagonists CCR5, CCR2, CXCR5 CCR5 1/4885KCNH2 1009/4885KDM4E 1354/4885
US-20040024217-A1 Synthesis of piperidine and piperazine compounds as CCR5 antagonists CCR5, CCR2, CXCR5 CCR5 1/4885KCNH2 935/4885KDM4E 1503/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885KCNH2 4679/4885KDM4E 4532/4885

“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.