Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4887672

Cl.Clc1ccc(C=C2CCNCC2)cc1

nearest known ligand 0.47

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
HTR2C known ✓ P28335 8/20 0.47
HTR2A known ✓ P28223 5/20 0.47
HTR2B known ✓ P41595 5/20 0.47
SIGMAR1 known ✓ Q99720 2/20 0.40
HTR3A known ✓ P46098 2/20 0.38
HTR3E known ✓ A5X5Y0 1/20 0.38
HTR3B known ✓ O95264 1/20 0.38
ADRB1 known ✓ P08588 1/20 0.38
HTR3D known ✓ Q70Z44 1/20 0.38
HTR3C known ✓ Q8WXA8 1/20 0.38
HRH3 known ✓ Q9Y5N1 1/20 0.38
HTR7 known ✓ P34969 2/20 0.38
HTR6 known ✓ P50406 2/20 0.38
HTR1D known ✓ P28221 1/20 0.37
HTR1E known ✓ P28566 1/20 0.37
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PNMT P11086 1/20 0.40

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
SCHEMBL16322736 0.98 HTR2C (0.48) HTR2CHTR2AHTR2BPIM1PIM2
SCHEMBL15282036 0.83 AKR1C3 (0.50) PIM1PIM2AKR1C3AKR1C1PROKR1
Tert-Butyl Formate SCHEMBL27552576 0.81 TDP1 (0.37) HTR2CHTR2AHTR2BPIM1PIM2
Hydrochloric Acid SCHEMBL4881733 0.80 KMT2A (0.47) HTR2CHTR2AHTR2BPIM1PIM2
Hydrochloric Acid SCHEMBL4891394 0.80 IKBKB (0.47) HTR2CHTR2AHTR2BPIM1PIM2
Hydrochloric Acid SCHEMBL14721151 0.80 HTR2C (0.43) HTR2CHTR2AHTR2BPIM1PIM2
Hydrochloric Acid SCHEMBL2256641 0.79 HTR2C (0.50) HTR2CHTR2BPIM1PIM2SIGMAR1
SCHEMBL17684333 0.79 AKR1C3 (0.52) PIM1PIM2AKR1C3AKR1C1PROKR1
Hydrochloric Acid SCHEMBL6293547 0.78 CYP1A2 (0.50) HTR2CHTR2AHTR2BPIM1PIM2
SCHEMBL14730978 0.78 MAOA (0.43) HTR2CHTR2AHTR2BPIM1PIM2

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-10335402-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated gastrointestinal disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-02 US disclosed
US-10308635-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-10208016-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-19 US disclosed
US-20180251445-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS TAKEDA PHARMACEUTICALS CO (JP) 2018-09-06 US disclosed
EP-3010900-B1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-03 EP disclosed
US-20170340621-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-30 US disclosed
EP-3218363-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS Takeda Pharmaceutical Company Limited (JP) 2017-09-20 EP disclosed
WO-2016075457-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2016-05-19 WO disclosed
US-20160122317-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-05 US disclosed
EP-3010900-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS Takeda Pharmaceutical Company Limited (JP) 2016-04-27 EP disclosed
WO-2014202999-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS TAKEDA CAMBRIDGE LIMITED (GB) 2014-12-24 WO disclosed
US-20080300276-A1 Heterocyclic Carboxylic Acide Amide Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-04 US disclosed
EP-1771437-A1 NEW HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2007-04-11 EP disclosed
WO-2006010969-A1 NEW HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 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 (7 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-20180251445-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS GIPR, PROKR1, PROKR2 HTR2C 200/4885HTR2A 128/4885HTR2B 176/4885
US-20160122317-A1 1-SULFONYL PIPERIDINE DERIVATIVES AS MODULATORS OF PROKINETICIN RECEPTORS GIPR, PROKR1, PROKR2 HTR2C 200/4885HTR2A 128/4885HTR2B 176/4885
US-20080300276-A1 Heterocyclic Carboxylic Acide Amide Derivatives HCAR2, GRIN1, HCAR1 HTR2C 372/4885HTR2A 686/4885HTR2B 663/4885
US-10308635-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors GIPR, PROKR1, PROKR2 HTR2C 200/4885HTR2A 128/4885HTR2B 176/4885
US-10335402-B2 Sulfonyl piperidine derivatives and their use for treating prokineticin mediated gastrointestinal disorders PROKR1, PROKR2, GIPR HTR2C 213/4885HTR2A 135/4885HTR2B 215/4885
US-20170340621-A1 SULFONYL PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATING PROKINETICIN MEDIATED GASTROINTESTINAL DISORDERS PROKR1, PROKR2, GIPR HTR2C 213/4885HTR2A 135/4885HTR2B 215/4885
US-10208016-B2 1-sulfonyl piperidine derivatives as modulators of prokineticin receptors GIPR, PROKR1, PROKR2 HTR2C 200/4885HTR2A 128/4885HTR2B 176/4885

“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.