Hydrochloric Acid

Hydrochloric Acid

SCHEMBL907874

COc1ccc(CCOC2CCCCC2N2CCOCC2)cc1OC.Cl

nearest known ligand 0.70

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 19)

geneUniProtsupporting neighboursconfidence
KCNA5 known ✓ P22460 7/20 0.70
SCN5A known ✓ Q14524 7/20 0.70
KCND2 known ✓ Q9NZV8 5/20 0.70
KCNH2 known ✓ Q12809 1/20 0.70
SLC6A4 known ✓ P31645 1/20 0.69
GAA known ✓ P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.42

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 SCHEMBL5635811 1.00 KCNA5 (0.70) KCNA5SCN5AKCND2KCNH2SLC6A4
Hydrochloric Acid SCHEMBL907873 1.00 KCNA5 (0.70) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL1762424 0.99 KCNA5 (0.70) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL2624892 0.99 KCNA5 (0.70) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL2624919 0.99 KCNA5 (0.70) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL3583781 0.99 KCNA5 (0.70) KCNA5SCN5AKCND2KCNH2SLC6A4
SCHEMBL1763002 0.99 KCNA5 (0.70) KCNA5SCN5AKCND2KCNH2SLC6A4
Hydrochloric Acid SCHEMBL908568 0.94 KCNA5 (0.63) KCNA5SCN5AKCND2KCNH2SLC6A4
Hydrochloric Acid SCHEMBL5948958 0.94 KCNA5 (0.63) KCNA5SCN5AKCND2KCNH2SLC6A4
Hydrochloric Acid SCHEMBL908567 0.94 KCNA5 (0.63) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008322-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP (CA) 2016-01-14 US disclosed
US-20140314685-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2014-10-23 US disclosed
US-20130171077-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2013-07-04 US disclosed
US-8008342-B2 Ion channel modulating compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2011-08-30 US disclosed
US-20110207730-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2011-08-25 US disclosed
US-7875611-B2 (+)-trans-[2-(4-morpholinyl)-1-[2-(2-naphthoxy)ethoxy)]; (1R,2R)/(1S,2S)-2-[1,4-dioxa-7-azaspiro[4.4]non-7-yl]-1-(1-naphthenethoxy)cyclohexanecyclohexane; treatment of arrhythmia and the production of analgesia and local anesthesia CARDIOME PHARMA CORP. (CA) 2011-01-25 US disclosed
US-20100056603-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2010-03-04 US disclosed
US-20100029639-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2010-02-04 US disclosed
US-7534790-B2 Ion channel modulating compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2009-05-19 US disclosed
US-7524879-B2 Ion channel modulating compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2009-04-28 US disclosed
US-20080070911-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2008-03-20 US disclosed
US-20080004333-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2008-01-03 US disclosed
US-20070004718-A1 Ion channel modulating compounds and uses thereof CARDIOME PHAMA CORP. (CA) 2007-01-04 US disclosed
US-7101877-B2 Ion channel modulating compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2006-09-05 US disclosed
US-20060189677-A1 Treatment of arrhythmia and the production of analgesia and local anesthesia by administering 1-[2-(3,4-dimethoxyphenyl)ethoxy]-2-(3-hydroxy-1-pyrrolidinyl)cyclohexane or a salt CARDIOME PHARMA CORP. (CA) 2006-08-24 US disclosed
US-20050192208-A2 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2005-09-01 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 (11 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-20130171077-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20110207730-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20100056603-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20080004333-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20070004718-A1 Ion channel modulating compounds and uses thereof TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20080070911-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20160008322-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20140314685-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885
US-20060189677-A1 Treatment of arrhythmia and the production of analgesia and local anesthesia by administering 1-[2-(3,4-dimethoxyphenyl)ethoxy]-2-(3-hydroxy-1-pyrrolidinyl)cyclohexane or a salt KCNN2, KCNN3, KCNN1 KCNA5 34/4885SCN5A 16/4885KCND2 44/4885
US-20050192208-A2 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 21/4885SCN5A 46/4885KCND2 28/4885
US-20100029639-A1 ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF TRPV1, TRPA1, KCNN2 KCNA5 26/4885SCN5A 54/4885KCND2 28/4885

“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.