SCHEMBL1077622

SCHEMBL1077622

c1ccc(C2CCCCN2c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
KMT2A Q03164 1/20 0.45
NUDT1 P36639 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
PIK3C3 Q8NEB9 5/20 0.43
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RIPK1 Q13546 1/20 0.41
SLC18A3 Q16572 1/20 0.41

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 SCHEMBL6962021 0.98 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL28604180 0.96 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5530018 0.94 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3011993 0.94 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL28866229 0.92 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Methyl Alcohol SCHEMBL23748591 0.89 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4017959 0.88 EGFR (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4552972 0.86 CHRNA7 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Alcohol SCHEMBL8570760 0.84 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22165467 0.82 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539578-A Physical crosslinking type polymer anion exchange membrane and preparation method thereof 北京化工大学 2022-05-27 CN claimed
CN-114524912-A Side-chain piperidine cation grafted polybiphenyl alkaline membrane and preparation method thereof 北京化工大学 2022-05-24 CN claimed
US-20220024879-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION TWINCORE ZENTRUM FUR EXPERIMENTELLE UND KLINISCHE INFEKTIONSFORSCHUNG GMBH (DE) 2022-01-27 US claimed
EP-3898593-A2 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION Gottfried Wilhelm Leibniz Universität Hannover (DE) 2021-10-27 EP claimed
CN-109411788-B Aza spiro cation loaded polybiphenyl basic film and preparation method thereof 北京化工大学 2021-07-13 CN claimed
CN-111740118-A Hydrophobicity regulation and control method for catalyst layer of alkaline polyelectrolyte fuel cell 武汉大学 2020-10-02 CN claimed
WO-2020127211-A2 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION GOTTFRIED WILHELM LEIBNIZ UNIVERSITÄT HANNOVER (DE) 2020-06-25 WO claimed
EP-3670498-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION Gottfried Wilhelm Leibniz Universität Hannover (DE) 2020-06-24 EP claimed
CN-109306151-A One kind is without ether oxygen bond type polymer anion-exchange membrane and preparation method thereof 大连理工大学 2019-02-05 CN claimed
CN-105854775-B A kind of manganese slag lightweight ceramic tile additive special production apparatus and method of work and its preparation method of critical component 徐州工程学院 2017-08-25 CN claimed
CN-1132625-A NK-1 receptor antagonits and 5HT3 receptor antagonists for treatment of emesis PFIZER (US) 1996-10-09 CN claimed
CN-1132072-A NK-1 receptor antagonists for the treatment of nerve injury and stroke PFIZER (US) 1996-10-02 CN claimed
CN-1121806-A Pharmaceutical agents for treatment of emesis PFIZER (US) 1996-05-08 CN claimed
EP-0296316-B1 1,4-DIHYDROPYRIDINE ENANTIOMERS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-09-01 EP claimed
US-4994461-A Vasodilators; treating cardiovascular disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-02-19 US claimed
EP-0221376-B1 N-SUBSTITUTED DIPHENYL PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 1990-06-20 EP claimed
EP-0343193-A1 1,4-DIHYDROPYRIDINE ENANTIOMERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-11-29 EP claimed
EP-0296316-A1 1,4-Dihydropyridine enantiomers Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1988-12-28 EP claimed
WO-1988007525-A1 1,4-DIHYDROPYRIDINE ENANTIOMERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-10-06 WO claimed
EP-0221376-A2 N-substituted diphenyl piperidines F. HOFFMANN-LA ROCHE AG (CH) 1987-05-13 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220024879-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION HAVCR2, HCCS, HELZ CHRNB2 4037/4885CHRNB4 4270/4885CHRNA3 2371/4885

“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.