SCHEMBL1329062

SCHEMBL1329062

CCc1cccc(CC)c1-c1cc(Oc2cncc(Cl)c2)c(CN2CCOC(C)(C)C2)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
C5AR1 P21730 3/20 0.32
FGFR1 P11362 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE7B Q9NP56 1/20 0.30
EPAS1 Q99814 1/20 0.30
CBLB Q13191 1/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL1327051 0.84 PDE10A (0.34) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1327259 0.82 SCN9A (0.37) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1327524 0.82 PIK3CD (0.42) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1327605 0.81 C5AR1 (0.36) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4820476 0.81 MAOB (0.35) PDE10A
SCHEMBL1326756 0.80 SCN9A (0.34) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4412566 0.78 PIK3CD (0.36) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2138201 0.78 CBLB (0.33) PDE10AFGFR1CBLB
SCHEMBL2141010 0.76 PDE10A (0.34) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4412563 0.75 GRM2 (0.40) PDE10APIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 PDE10A 712/4885PIK3CD 1973/4885PIK3CA 1225/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PDE10A 712/4885PIK3CD 1973/4885PIK3CA 1225/4885

“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.