Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1762465

CC(O[C@@H]1CCCC[C@@H]1N1CCC(=O)C1)c1cccc2ccccc12.Cl

nearest known ligand 0.57

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
▸ KCNA5 known ✓ P22460 3/20 0.57
▸ SCN5A known ✓ Q14524 3/20 0.57
▸ HSD11B1 known ✓ P28845 2/20 0.37
▸ CASR known ✓ P41180 3/20 0.35
▸ SIGMAR1 known ✓ Q99720 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ACP3 P15309 1/20 0.34

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 SCHEMBL1762349 1.00 KCNA5 (0.57) KCNA5SCN5AHSD11B1CASRMETAP2
SCHEMBL1762200 0.99 KCNA5 (0.58) KCNA5SCN5AHSD11B1CASRMETAP2
SCHEMBL3574304 0.99 KCNA5 (0.58) KCNA5SCN5AHSD11B1CASRMETAP2
SCHEMBL1762342 0.99 KCNA5 (0.58) KCNA5SCN5AHSD11B1CASRMETAP2
Hydrochloric Acid SCHEMBL1762316 0.78 SLC18A3 (0.43) KCNA5SCN5ACASRMETAP2METAP1
Hydrochloric Acid SCHEMBL1762428 0.78 SLC18A3 (0.43) KCNA5SCN5ACASRMETAP2METAP1
Hydrochloric Acid SCHEMBL5949221 0.78 SLC18A3 (0.43) KCNA5SCN5ACASRMETAP2METAP1
SCHEMBL2124869 0.75 KCNA5 (0.39) KCNA5SCN5AHSD11B1METAP2METAP1
SCHEMBL2122586 0.75 KCNA5 (0.39) KCNA5SCN5AHSD11B1METAP2METAP1
SCHEMBL2125605 0.75 KCNA5 (0.39) KCNA5SCN5AHSD11B1METAP2METAP1

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
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-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-20090041841-A1 CONTROLLED RELEASE TABLET FORMULATIONS FOR THE PREVENTION OF ARRHYTHMIAS CARDIOME PHARMA CORP. (CA) 2009-02-12 — — US disclosed
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2008-08-07 — — US disclosed
US-7345086-B2 Uses of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2008-03-18 — — 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
WO-2005018635-A2 ION CHANNEL MODULATING ACTIVITY I CARDIOME PHARMA CORP. (CA) 2005-03-03 — — WO disclosed
US-20050026993-A1 Uses of ion channel modulating compounds CORREVIO CANADA CORP. (CA) 2005-02-03 — — US disclosed
WO-2004098525-A2 USES OF ION CHANNEL MODULATING COMPOUNDS 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 (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-20090041841-A1 CONTROLLED RELEASE TABLET FORMULATIONS FOR THE PREVENTION OF ARRHYTHMIAS KCNN3, KCNN2, KCNN1 KCNA5 78/4885SCN5A 59/4885HSD11B1 3022/4885
US-20050070552-A1 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 KCNA5 45/4885SCN5A 71/4885HSD11B1 3797/4885
US-20050026993-A1 Uses of ion channel modulating compounds KCNN1, KCNN2, KCNN3 KCNA5 48/4885SCN5A 49/4885HSD11B1 3817/4885
US-20060135536-A9 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 KCNA5 45/4885SCN5A 71/4885HSD11B1 3797/4885
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNN2 KCNA5 31/4885SCN5A 59/4885HSD11B1 3790/4885
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 KCNA5 48/4885SCN5A 49/4885HSD11B1 3817/4885
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 KCNA5 48/4885SCN5A 49/4885HSD11B1 3817/4885
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNJ2 KCNA5 34/4885SCN5A 64/4885HSD11B1 3927/4885

“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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