Hydrochloric Acid

Hydrochloric Acid

SCHEMBL960429

COc1ccc(N2CCNCC2)cc1C(F)(F)F.Cl

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
▸ ALK known ✓ Q9UM73 3/20 0.54
▸ ADRB1 known ✓ P08588 5/20 0.50
▸ HTR3E known ✓ A5X5Y0 3/20 0.50
▸ HTR3B known ✓ O95264 3/20 0.50
▸ HTR3A known ✓ P46098 3/20 0.50
▸ HTR3D known ✓ Q70Z44 3/20 0.50
▸ HTR3C known ✓ Q8WXA8 3/20 0.50
▸ HTR1A known ✓ P08908 2/20 0.50
▸ SIGMAR1 known ✓ Q99720 2/20 0.50
▸ HTR7 known ✓ P34969 2/20 0.50
▸ ACVR1 known ✓ Q04771 1/20 0.49
▸ HTR1D known ✓ P28221 2/20 0.49
▸ HTR1B known ✓ P28222 1/20 0.49
▸ HTR2C known ✓ P28335 1/20 0.49
▸ HTR6 known ✓ P50406 1/20 0.46
▸ MAPT P10636 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CHRNB2 P17787 1/20 0.45

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
SCHEMBL7556184 0.99 ALK (0.55) ALKMAPTTHRBADRB1HTR3E
SCHEMBL22601531 0.85 ADRB1 (0.53) ALKMAPTADRB1HTR3EHTR3B
SCHEMBL27945631 0.84 ALDH1A1 (0.50) MAPTALDH1A1HTR2CLMNA
SCHEMBL14922743 0.83 CHRNB2 (0.48) ALKMAPTTHRBADRB1HTR3E
Hydrochloric Acid SCHEMBL7711565 0.82 ADRB1 (0.59) MAPTADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL2156292 0.82 ADRB1 (0.59) MAPTADRB1HTR3EHTR3BHTR3A
SCHEMBL11177028 0.80 HTR3E (0.58) MAPTTHRBADRB1HTR3EHTR3B
SCHEMBL361649 0.80 ADRB1 (0.61) MAPTADRB1HTR3EHTR3BHTR3A
SCHEMBL2766132 0.79 ADRB1 (0.56) MAPTADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL2276790 0.79 THRB (0.56) MAPTTHRBADRB1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity Salix Pharmaceuticals, Ltd 2015-12-24 — — US disclosed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 — — EP disclosed
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity SPROUT PHARMACEUTICALS, INC. (US) 2015-01-08 — — US disclosed
US-8722682-B2 Sulfated benzimidazolone derivatives having mixed serotonin receptor affinity SPROUT PHARMACEUTICALS, INC. (US) 2014-05-13 — — US disclosed
EP-2097389-B1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INT (DE) 2011-09-14 — — EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 — — US disclosed
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 — — US disclosed
EP-2097389-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY Boehringer Ingelheim International GmbH (DE) 2009-09-09 — — EP disclosed
WO-2008074795-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-26 — — WO disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 — — US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 — — 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 (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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 ALK 1161/4885ADRB1 1885/4885HTR3E 1008/4885
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E ALK 1905/4885ADRB1 158/4885HTR3E 6/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E ALK 2050/4885ADRB1 156/4885HTR3E 7/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 ALK 1831/4885ADRB1 101/4885HTR3E 4/4885

“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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