Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3314029

Cl.O=C(Cl)O[C@H]1CN2CCC1CC2

nearest known ligand 0.65

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
CHRM2 known ✓ P08172 6/20 0.65
CHRM1 known ✓ P11229 5/20 0.65
GLA known ✓ P06280 1/20 0.54
CHRNA7 known ✓ P36544 4/20 0.50
BCHE known ✓ P06276 1/20 0.50
ACHE known ✓ P22303 1/20 0.50
CHRM3 known ✓ P20309 3/20 0.49
GAA known ✓ P10253 1/20 0.48
CHRM4 known ✓ P08173 1/20 0.48
CHRM5 known ✓ P08912 1/20 0.48
MEN1 O00255 1/20 0.65
CYP2D6 P10635 1/20 0.65
KMT2A Q03164 1/20 0.65
TSHR P16473 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47

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 SCHEMBL22776363 1.00 CHRM2 (0.65) CHRM2CHRM1MEN1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL1695128 1.00 CHRM2 (0.65) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL21063805 0.98 CHRM2 (0.67) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL1566368 0.98 CHRM2 (0.67) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL1566364 0.98 CHRM2 (0.67) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL22784487 0.89 CHRM1 (0.62) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL18098066 0.89 CHRM1 (0.62) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL3743481 0.82 CHRM2 (0.71) CHRM2CHRM1MEN1CYP2D6KMT2A
Aceclidine SCHEMBL6237805 0.81 CHRM2 (0.96) CHRM2CHRM1MEN1CYP2D6KMT2A
SCHEMBL3743487 0.80 CHRM2 (0.69) CHRM2CHRM1MEN1CYP2D6KMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152202-B1 3,5-DICHLORO,4-(3,4-(CYCLO-)ALKOXYPHENYL)--2-CARBONYLOXY)ETHYL)PYRIDINE DERIVATIVES AS PDE-4 INHIBITORS AND MUSCARINIC M3 RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-11-28 EP disclosed
US-10087176-B2 3,5-dichloro,4-(3,4-(cyclo-)alkoxyphenyl)--2-carbonyloxy)ethyl)pyridine derivatives as PDE-4 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-10-02 US disclosed
EP-3152204-B1 CARBAMATE DERIVATIVES WHICH ARE BOTH PHOSPHODIESTERASE 4 (PDE4) ENZYME INHIBITORS AND MUSCARINIC M3 RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-03-28 EP disclosed
EP-2928883-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-14 EP disclosed
EP-2928880-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-14 EP disclosed
EP-3077385-B1 HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-10-04 EP disclosed
EP-3077386-B1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARM SPA (IT) 2017-09-06 EP disclosed
US-20170152256-A1 3,5-DICHLORO,4-(3,4-(CYCLO-)ALKOXYPHENYL)--2-CARBONYLOXY)ETHYL)PYRIDINE DERIVATIVES AS PDE-4 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-01 US disclosed
EP-3152202-A1 3,5-DICHLORO,4-(3,4-(CYCLO-)ALKOXYPHENYL)--2-CARBONYLOXY)ETHYL)PYRIDINE DERIVATIVES AS PDE-4 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2017-04-12 EP disclosed
EP-3152204-A1 CARBAMATE DERIVATIVES WHICH ARE BOTH PHOSPHODIESTERASE 4 (PDE4) ENZYME INHIBITORS AND MUSCARINIC M3 RECEPTOR ANTAGONISTS Chiesi Farmaceutici S.p.A. (IT) 2017-04-12 EP disclosed
WO-2015082619-A1 BENZHYDRYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-11 WO disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
WO-2014086855-A1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 WO disclosed
WO-2014086852-A1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 WO disclosed
US-20140155373-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-05 US disclosed
US-20140155427-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-05 US disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
US-8367696-B2 Aza-bridged-ring compound ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 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 (6 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-20170152256-A1 3,5-DICHLORO,4-(3,4-(CYCLO-)ALKOXYPHENYL)--2-CARBONYLOXY)ETHYL)PYRIDINE DERIVATIVES AS PDE-4 INHIBITORS PDE4A, PDE4B, PDE4D CHRM2 28/4885CHRM1 43/4885GLA 2294/4885
US-20140155427-A1 NOVEL COMPOUNDS CHRM3, PDE4A, PDE3A CHRM2 13/4885CHRM1 15/4885GLA 1203/4885
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM2 8/4885CHRM1 16/4885GLA 1200/4885
US-20140155373-A1 NOVEL COMPOUNDS PDE4A, CHRM3, PDE4B CHRM2 16/4885CHRM1 17/4885GLA 1118/4885
US-20100105658-A1 AZA-BRIDGED-RING COMPOUND CHRM3, CHRM1, CHRM2 CHRM2 3/4885CHRM1 2/4885GLA 3029/4885
US-10087176-B2 3,5-dichloro,4-(3,4-(cyclo-)alkoxyphenyl)--2-carbonyloxy)ethyl)pyridine derivatives as PDE-4 inhibitors PDE4A, PDE4B, PDE4D CHRM2 28/4885CHRM1 43/4885GLA 2294/4885

“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.