Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1762428

CC(=O)OC1CCN([C@H]2CCCC[C@@H]2OC(C)c2cccc3ccccc23)C1.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 10)

geneUniProtsupporting neighboursconfidence
▸ CASR known ✓ P41180 5/20 0.38
▸ SIGMAR1 known ✓ Q99720 1/20 0.35
▸ KCNA5 known ✓ P22460 3/20 0.35
▸ SCN5A known ✓ Q14524 3/20 0.35
▸ SLC18A3 Q16572 3/20 0.43
▸ KDM2B Q8NHM5 2/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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 SCHEMBL1762316 1.00 SLC18A3 (0.43) SLC18A3CASRKDM2BMETAP2METAP1
Hydrochloric Acid SCHEMBL5949221 1.00 SLC18A3 (0.43) SLC18A3CASRKDM2BMETAP2METAP1
Hydrochloric Acid SCHEMBL1762465 0.78 KCNA5 (0.57) CASRMETAP2METAP1MEN1KMT2A
Hydrochloric Acid SCHEMBL1762349 0.78 KCNA5 (0.57) CASRMETAP2METAP1MEN1KMT2A
SCHEMBL2625050 0.77 KCNA5 (0.62) SLC18A3MEN1KMT2ASIGMAR1KCNA5
SCHEMBL2624927 0.77 KCNA5 (0.62) SLC18A3MEN1KMT2ASIGMAR1KCNA5
SCHEMBL1762200 0.77 KCNA5 (0.58) CASRKDM2BMETAP2METAP1MEN1
SCHEMBL1762342 0.77 KCNA5 (0.58) CASRKDM2BMETAP2METAP1MEN1
SCHEMBL3574304 0.77 KCNA5 (0.58) CASRKDM2BMETAP2METAP1MEN1
Hydrochloric Acid SCHEMBL6271523 0.74 CYP3A4 (0.39) CASRMETAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188140-B2 Uses of ion channel modulating compounds CARDIOME PHARMA CORP. 2012-05-29 — — US disclosed
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2012-04-19 — — US disclosed
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2011-05-19 — — US disclosed
US-7820712-B2 Uses of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2010-10-26 — — US disclosed
US-7767830-B2 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2010-08-03 — — US disclosed
US-7674820-B2 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2010-03-09 — — US disclosed
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2009-10-29 — — US disclosed
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2008-08-07 — — US disclosed
US-20070254945-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2007-11-01 — — US disclosed
US-20060135536-A9 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2006-06-22 — — US disclosed
US-20050070552-A1 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2005-03-31 — — US disclosed
US-20050026993-A1 Uses of ion channel modulating compounds CORREVIO CANADA CORP. (CA) 2005-02-03 — — 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 (8 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-20050070552-A1 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 CASR 1062/4885SIGMAR1 2602/4885KCNA5 45/4885
US-20070254945-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF KCNH2, KCNC1, KCNH3 CASR 2652/4885SIGMAR1 2970/4885KCNA5 16/4885
US-20050026993-A1 Uses of ion channel modulating compounds KCNN1, KCNN2, KCNN3 CASR 407/4885SIGMAR1 3877/4885KCNA5 48/4885
US-20060135536-A9 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 CASR 1062/4885SIGMAR1 2602/4885KCNA5 45/4885
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNN2 CASR 1211/4885SIGMAR1 3999/4885KCNA5 31/4885
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 CASR 407/4885SIGMAR1 3877/4885KCNA5 48/4885
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 CASR 407/4885SIGMAR1 3877/4885KCNA5 48/4885
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNJ2 CASR 1340/4885SIGMAR1 3766/4885KCNA5 34/4885

“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.

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