Hydrochloric Acid

Hydrochloric Acid

SCHEMBL841133

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(C(=O)NCCOC)cc3)nc2)CC1.Cl

nearest known ligand 0.38

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 15)

geneUniProtsupporting neighboursconfidence
SCN9A known ✓ Q15858 1/20 0.35
SCN10A known ✓ Q9Y5Y9 1/20 0.35
FGFR1 known ✓ P11362 1/20 0.35
LOX P28300 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
MLNR O43193 1/20 0.37
MCHR1 Q99705 1/20 0.37
PRKAA2 P54646 2/20 0.36
ABCB1 P08183 1/20 0.36
KMT2A Q03164 1/20 0.36
GCGR P47871 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL842789 0.99 GALR3 (0.38) LOXLOXL2GALR3RAB9AMLNR
Hydrochloric Acid SCHEMBL842014 0.94 GALR3 (0.36) GALR3RAB9AMLNRMCHR1PRKAA2
SCHEMBL1982629 0.93 GALR3 (0.36) GALR3RAB9AMLNRMCHR1PRKAA2
Hydrochloric Acid SCHEMBL842958 0.92 GALR3 (0.36) GALR3RAB9AMCHR1UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL842498 0.92 GALR3 (0.34) GALR3RAB9AUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL842359 0.92 KCNH2 (0.39) GALR3RAB9AMLNRMCHR1PRKAA2
Hydrochloric Acid SCHEMBL841833 0.92 GALR3 (0.40) GALR3RAB9AMLNRPRKAA2ABCB1
SCHEMBL1983661 0.92 GALR3 (0.36) GALR3RAB9AMCHR1UBE2MDCUN1D1
SCHEMBL1981908 0.92 GALR3 (0.34) GALR3RAB9AUBE2MDCUN1D1
SCHEMBL862867 0.91 KCNH2 (0.39) GALR3RAB9AMLNRMCHR1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604207-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-10 US disclosed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 US disclosed
US-8410276-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-02 US disclosed
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 EP disclosed
US-8143404-B2 N-heterocycle urea compounds such as 5-([(butyl{1-[(2-methyl-6-{4-[(methylsulfonyl)amino]phenoxy)-3-pyridinyl)methyl]-4-piperidinyl}amino)carbonyl]amino)-2,4-difluorobenzamide; chemokine receptor CCR5 antagonists for various inflammatory diseases, autoimmune diseases, infectious diseases ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-27 US disclosed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
US-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 US disclosed
EP-1790637-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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 (3 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-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient CXCR3, CCR5, CCR1 SCN9A 1946/4885SCN10A 2304/4885FGFR1 245/4885
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 SCN9A 1594/4885SCN10A 1913/4885FGFR1 284/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 SCN9A 1594/4885SCN10A 1913/4885FGFR1 284/4885

“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.