SCHEMBL335936

SCHEMBL335936

C1CNC2(C1)CC[N]CC2

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL3550926 0.92 CHEK1 (0.34)
SCHEMBL8062435 0.90 CHEK1 (0.33)
SCHEMBL8060441 0.90 CHEK1 (0.33)
SCHEMBL2988468 0.86
SCHEMBL769667 0.85
SCHEMBL9941997 0.80
SCHEMBL1831166 0.80
SCHEMBL27323 0.80
SCHEMBL8056819 0.78
Hydrochloric Acid SCHEMBL15772465 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO claimed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US claimed
EP-3849974-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP claimed
US-11034696-B2 Compounds for inhibiting LRRK2 kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-15 US claimed
WO-2020052738-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO claimed
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 EP claimed
US-8471004-B2 Bicyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US claimed
JP-2011529095-A 2011-12-01 JP claimed
JP-2011528001-A 2011-11-10 JP claimed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO claimed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 US claimed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO claimed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US claimed
US-20090298810-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2009-12-03 US claimed
EP-2010180-A2 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2009-01-07 EP claimed
WO-2007124423-A2 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-01 WO claimed
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US claimed
EP-0885227-A1 PYRIMIDO 5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1998-12-23 EP claimed
WO-1997032882-A1 PYRIMIDO[5,4-d]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO 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 (5 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-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, KCNJ1, KCNJ11 CHRNA1 578/4885CHRNG 1834/4885CHRNB1 1272/4885
US-11034696-B2 Compounds for inhibiting LRRK2 kinase activity LRRK2, BRSK2, MAPKAPK2 CHRNA1 3635/4885CHRNG 4360/4885CHRNB1 3354/4885
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 CHRNA1 207/4885CHRNG 281/4885CHRNB1 329/4885
US-20090298810-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN CHRNA1 1512/4885CHRNG 859/4885CHRNB1 1548/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 CHRNA1 201/4885CHRNG 271/4885CHRNB1 303/4885

“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.