Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4797236

C#CC(N)c1ccccc1.Cl

nearest known ligand 0.55

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
▸ DPP4 known ✓ P27487 2/20 0.48
▸ HTR2A known ✓ P28223 1/20 0.39
▸ ADRA2A known ✓ P08913 1/20 0.38
▸ ADRA2C known ✓ P18825 1/20 0.38
▸ F2 P00734 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9973462 0.97 DPP4 (0.50) DPP4F2ALDH1A1HTR2ATAAR1
SCHEMBL1036595 0.97 DPP4 (0.50) DPP4F2ALDH1A1HTR2ATAAR1
Aminodiphenylmethane SCHEMBL1764753 0.75 DPP4 (0.61) DPP4F2ALDH1A1HTR2ATAAR1
Hydrochloric Acid SCHEMBL5740029 0.75 TRPA1 (0.50) DPP4F2ALDH1A1HTR2ATAAR1
Hydrochloric Acid SCHEMBL544881 0.75 TRPA1 (0.50) DPP4F2ALDH1A1HTR2ATAAR1
Hydrochloric Acid SCHEMBL1143664 0.75 TRPA1 (0.50) DPP4F2ALDH1A1HTR2ATAAR1
Hydrochloric Acid SCHEMBL10821176 0.75 DPP4 (0.48) DPP4F2ALDH1A1HTR2ATAAR1
Hydrochloric Acid SCHEMBL30110840 0.75 DPP4 (0.54) DPP4F2ALDH1A1HTR2ATAAR1
SCHEMBL23244675 0.73 PYCR1 (0.40) DPP4ALDH1A1HTR2A
SCHEMBL21263995 0.73 CHRNA7 (0.39) ALDH1A1LMNA

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-7332608-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-19 — — US disclosed
US-7235664-B2 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 — — US disclosed
US-7235690-B2 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 — — US disclosed
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-24 — — US disclosed
US-20050137200-A1 Potassium channel modulators; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-23 — — US disclosed
US-6903216-B2 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-07 — — US disclosed
US-20030187033-A1 Anthranilamides and methods of their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-02 — — US disclosed
US-20030114499-A1 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-19 — — 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 (4 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-20050137200-A1 Potassium channel modulators; antiarrhythmia agents KCNJ2, KCNQ5, KCNH1 DPP4 3619/4885HTR2A 2281/4885ADRA2A 358/4885
US-20070117807-A1 ANTHRANILAMIDES AND METHODS OF THEIR USE KCNH1, KCNH2, KCNJ2 DPP4 4484/4885HTR2A 3599/4885ADRA2A 711/4885
US-20030114499-A1 Anthranilamides with heteroarylsulfonyl side chain, process of preparation, and use KCNJ2, KCNQ5, KCNH1 DPP4 3857/4885HTR2A 1787/4885ADRA2A 511/4885
US-20030187033-A1 Anthranilamides and methods of their use KCNH1, KCNJ2, KCNH2 DPP4 4482/4885HTR2A 3841/4885ADRA2A 814/4885

“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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