Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21045786

Cl.Cl.Nc1ccc(N2CCNCC2)cn1

nearest known ligand 0.62

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
ADRB1 known ✓ P08588 3/20 0.47
HTR3E known ✓ A5X5Y0 2/20 0.47
HTR3B known ✓ O95264 2/20 0.47
HTR3A known ✓ P46098 2/20 0.47
HTR3D known ✓ Q70Z44 2/20 0.47
HTR3C known ✓ Q8WXA8 2/20 0.47
SIGMAR1 known ✓ Q99720 2/20 0.47
ADRB2 known ✓ P07550 1/20 0.47
CDK4 known ✓ P11802 1/20 0.45
ROCK2 known ✓ O75116 1/20 0.44
HRH3 known ✓ Q9Y5N1 1/20 0.44
CHRNB2 P17787 8/20 0.62
CHRNA4 P43681 8/20 0.62
PIM1 P11309 1/20 0.50
PIM3 Q86V86 1/20 0.50
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 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
Hydrochloric Acid SCHEMBL4935425 1.00 CHRNB2 (0.62) CHRNB2CHRNA4PIM1PIM3ADRB1
SCHEMBL1992377 0.98 CHRNB2 (0.64) CHRNB2CHRNA4PIM1PIM3ADRB1
SCHEMBL5658694 0.92 CHRNB2 (0.68) CHRNB2CHRNA4PIM1PIM3
SCHEMBL25143036 0.88 CHRNB2 (0.51) CHRNB2CHRNA4PIM1PIM3ADRB1
Pivalate SCHEMBL28600103 0.84 CHRNB2 (0.49) CHRNB2CHRNA4PIM1PIM3ADRB1
Tert-Butyl Formate SCHEMBL27722336 0.82 CHRNB2 (0.47) CHRNB2CHRNA4PIM1PIM3ADRB1
SCHEMBL13779836 0.81 MAPT (0.50) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL3367822 0.81 CHRNB2 (0.47) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL29883782 0.81 MAPT (0.50) CHRNB2CHRNA4KDM4EALDH1A1LMNA
SCHEMBL823334 0.79 MAPT (0.53) CHRNB2CHRNA4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752499-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2024-03-27 EP disclosed
CN-111770918-B Inhibitors of TRPC6 勃林格殷格翰国际公司 2024-02-27 CN disclosed
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed
EP-3700902-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2023-03-08 EP disclosed
US-11485740-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-11-01 US disclosed
EP-3786160-B1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-07-13 EP disclosed
US-20210163449-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-03 US disclosed
EP-3786160-A1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-03-03 EP disclosed
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 US disclosed
US-20200399282-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 US disclosed
EP-3752499-A1 INHIBITORS OF TRPC6 Boehringer Ingelheim International GmbH (DE) 2020-12-23 EP disclosed
CN-111770918-A Inhibitors of TRPC6 勃林格殷格翰国际公司 2020-10-13 CN disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 US disclosed
EP-3700902-A1 PYRIDINE CARBONYL DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-09-02 EP disclosed
CN-111527078-A Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2020-08-11 CN disclosed
WO-2019158572-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 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 (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-20200399282-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 ADRB1 280/4885HTR3E 297/4885HTR3B 260/4885
US-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 ADRB1 168/4885HTR3E 397/4885HTR3B 292/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 ADRB1 171/4885HTR3E 432/4885HTR3B 331/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 ADRB1 168/4885HTR3E 397/4885HTR3B 292/4885
US-11485740-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 ADRB1 280/4885HTR3E 297/4885HTR3B 260/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 ADRB1 168/4885HTR3E 397/4885HTR3B 292/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 ADRB1 168/4885HTR3E 397/4885HTR3B 292/4885

“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.