Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20975573

CN1CCC(O[C@H](c2nc3ccccc3[nH]2)c2cccc(F)c2O)CC1.Cl

nearest known ligand 0.43

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
HRH3 known ✓ Q9Y5N1 3/20 0.41
CHRM2 known ✓ P08172 1/20 0.41
HTR1A known ✓ P08908 1/20 0.41
ADRA2A known ✓ P08913 1/20 0.41
CHRM1 known ✓ P11229 1/20 0.41
DRD1 known ✓ P21728 1/20 0.41
SLC6A2 known ✓ P23975 1/20 0.41
ADRA1A known ✓ P35348 1/20 0.41
OPRM1 known ✓ P35372 1/20 0.41
DRD3 known ✓ P35462 1/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.41
KCNH2 known ✓ Q12809 1/20 0.41
HTR3A known ✓ P46098 1/20 0.35
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 1/20 0.41
HRH4 Q9H3N8 5/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MLKL Q8NB16 1/20 0.37
IDO1 P14902 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
Hydrochloric Acid SCHEMBL20975574 1.00 MAPK1 (0.43) MAPK1HRH3CHRM2HTR1AADRA2A
SCHEMBL20975554 0.99 HRH3 (0.42) MAPK1HRH3CHRM2HTR1AADRA2A
SCHEMBL29573633 0.99 HRH3 (0.42) MAPK1HRH3CHRM2HTR1AADRA2A
SCHEMBL15226935 0.99 HRH3 (0.42) MAPK1HRH3CHRM2HTR1AADRA2A
Water SCHEMBL21838308 0.98 HRH3 (0.41) MAPK1HRH3CHRM2HTR1AADRA2A
Water SCHEMBL21838307 0.98 HRH3 (0.41) MAPK1HRH3CHRM2HTR1AADRA2A
SCHEMBL2721736 0.90 DRD3 (0.46) MAPK1HRH3CHRM2HTR1AADRA2A
SCHEMBL900698 0.88 HRH3 (0.41) MAPK1HRH3CHRM2HTR1AADRA2A
SCHEMBL15227129 0.88 HRH3 (0.43) MAPK1HRH3CHRM2HTR1AADRA2A
SCHEMBL15227288 0.87 HRH3 (0.40) MAPK1HRH3CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281839-A1 BENZIMIDAZOLE DERIVATIVES AS DUAL HISTAMINE H1 AND HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2022-09-08 US claimed
US-11306069-B2 Benzimidazole derivatives as dual histamine H1 and histamine H4 receptor ligands BIOPROJET (FR) 2022-04-19 US claimed
US-12134608-B2 Benzimidazole derivatives as dual histamine H1 and histamine H4 receptor ligands BIOPROJET (FR) 2024-11-05 US disclosed
US-20220281839-A1 BENZIMIDAZOLE DERIVATIVES AS DUAL HISTAMINE H1 AND HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2022-09-08 US disclosed
US-11306069-B2 Benzimidazole derivatives as dual histamine H1 and histamine H4 receptor ligands BIOPROJET (FR) 2022-04-19 US disclosed
EP-3486243-B1 BENZIMIDAZOLE DERIVATIVES AS DUAL HISTAMINE H1 AND HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2020-04-15 EP disclosed
EP-3486243-A1 BENZIMIDAZOLE DERIVATIVES AS DUAL HISTAMINE H1 AND HISTAMINE H4 RECEPTOR LIGANDS Bioprojet (FR) 2019-05-22 EP disclosed
US-20190144421-A1 BENZIMIDAZOLE DERIVATIVES AS DUAL HISTAMINE H1 AND HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2019-05-16 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 (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-20190144421-A1 BENZIMIDAZOLE DERIVATIVES AS DUAL HISTAMINE H1 AND HISTAMINE H4 RECEPTOR LIGANDS HRH4, HRH3, HRH1 HRH3 2/4885CHRM2 49/4885HTR1A 77/4885
US-20220281839-A1 BENZIMIDAZOLE DERIVATIVES AS DUAL HISTAMINE H1 AND HISTAMINE H4 RECEPTOR LIGANDS HRH4, HRH3, HRH1 HRH3 2/4885CHRM2 76/4885HTR1A 58/4885
US-12134608-B2 Benzimidazole derivatives as dual histamine H1 and histamine H4 receptor ligands HRH4, HRH3, HRH1 HRH3 2/4885CHRM2 76/4885HTR1A 58/4885
US-11306069-B2 Benzimidazole derivatives as dual histamine H1 and histamine H4 receptor ligands HRH4, HRH3, HRH1 HRH3 2/4885CHRM2 49/4885HTR1A 77/4885

“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.