Hydrochloric Acid

Hydrochloric Acid

SCHEMBL12465902

Cl.NCCOc1ccc2cc(Br)ccc2c1Cl

nearest known ligand 0.49

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
HTR1B known ✓ P28222 1/20 0.37
CCR5 known ✓ P51681 1/20 0.37
GLA known ✓ P06280 1/20 0.34
S1PR4 known ✓ O95977 1/20 0.34
TOP2A known ✓ P11388 1/20 0.34
NCEH1 Q6PIU2 2/20 0.49
KDM4E B2RXH2 4/20 0.40
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 3/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL14376152 0.82 NCEH1 (0.52) NCEH1KDM4EPOLBRXFP1KMT2A
Hydrochloric Acid SCHEMBL11888897 0.79 NCEH1 (0.52) NCEH1KDM4EHTR1BCCR5
Hydrochloric Acid SCHEMBL11889093 0.78 HTR1B (0.62) NCEH1KDM4EHTR1BPOLBSMN1; SMN2
SCHEMBL7126899 0.77 HTR1B (0.65) KDM4EHTR1BMAPTMAPK1LMNA
SCHEMBL6583415 0.77 NCEH1 (0.49) NCEH1POLBRXFP1KMT2AMAPT
SCHEMBL1274260 0.75 CCR5 (0.49) NCEH1CCR5SMN1; SMN2ALDH1A1LMNA
SCHEMBL13781592 0.74 NCEH1 (0.60) NCEH1KDM4EPOLBRXFP1KMT2A
SCHEMBL17707470 0.73 KDM4E (0.54) KDM4EHTR1BCCR5KMT2AMAPT
SCHEMBL12466528 0.72 NCEH1 (0.42) NCEH1KDM4EPOLBRXFP1KMT2A
SCHEMBL12370676 0.71 NCEH1 (0.51) NCEH1KDM4EPOLBRXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668160-B1 TRPM8 RECEPTOR ANTAGONISTS DOMPÉ FARMACEUTICI S P A (IT) 2015-08-12 EP disclosed
US-8906946-B2 TRPM8 receptor antagonists DOMPE' S.P.A. (IT) 2014-12-09 US disclosed
US-20140031398-A1 TRPM8 RECEPTOR ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-01-30 US disclosed
EP-2668160-A1 TRPM8 RECEPTOR ANTAGONISTS Dompe' S.p.A. (IT) 2013-12-04 EP disclosed
WO-2012101244-A1 TRPM8 RECEPTOR ANTAGONISTS DOMPE' S.P.A. (IT) 2012-08-02 WO 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-20140031398-A1 TRPM8 RECEPTOR ANTAGONISTS TRPM8, TRPM6, TRPM7 HTR1B 201/4885CCR5 546/4885GLA 4745/4885

“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.