Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1762230

COc1ccc(CCOC2CCCCC2)cc1OC.Cl

nearest known ligand 0.56

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
KCNA5 known ✓ P22460 5/20 0.56
SCN5A known ✓ Q14524 5/20 0.56
KCND2 known ✓ Q9NZV8 5/20 0.56
KCNH2 known ✓ Q12809 1/20 0.56
SLC6A4 known ✓ P31645 1/20 0.54
SIGMAR1 known ✓ Q99720 1/20 0.47
CYP19A1 known ✓ P11511 1/20 0.46
CA2 known ✓ P00918 1/20 0.46
PDE4B known ✓ Q07343 1/20 0.46
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
EPHX1 P07099 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.48
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2632456 0.98 SLC6A4 (0.55) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL15171306 0.89 CALM1 (0.53) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL15171307 0.89 SLC6A4 (0.47) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL12945065 0.87 SLC6A4 (0.47) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL15171305 0.86 TAAR1 (0.55) SLC6A4PDE4B
SCHEMBL2960049 0.82 SLC6A4 (0.51) KCNA5SCN5AKCND2KCNH2SLC6A4
Hydrochloric Acid SCHEMBL3338447 0.81 KCNA5 (0.60) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL12122823 0.80 SLC6A4 (0.61) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL14886381 0.80 SLC6A4 (0.61) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL12122818 0.80 SLC6A4 (0.61) KCNA5SCN5AKCND2KCNH2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560812-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF Cardiome Pharma Corp. (CA) 2005-08-10 EP claimed
WO-2004099137-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2004-11-18 WO claimed
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2011-05-19 US disclosed
EP-1560812-B1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP (CA) 2006-05-10 EP disclosed
EP-1560812-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF Cardiome Pharma Corp. (CA) 2005-08-10 EP disclosed
WO-2004099137-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2004-11-18 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-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 KCNA5 48/4885SCN5A 49/4885KCND2 15/4885

“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.