SCHEMBL1327259

SCHEMBL1327259

CCc1cccc(CC)c1-c1cc(Oc2ccc(C(N)=O)cc2)c(CN2CCOC(C)(C)C2)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.37
GRM2 Q14416 1/20 0.36
PDE10A Q9Y233 1/20 0.34
FGFR1 P11362 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CHUK O15111 1/20 0.32
INSR P06213 1/20 0.32
MAPK8 P45983 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
CBLB Q13191 1/20 0.32

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
SCHEMBL1326756 0.89 SCN9A (0.34) SCN9AGRM2PDE10AFGFR1PIK3CD
SCHEMBL1327051 0.87 PDE10A (0.34) SCN9APDE10AFGFR1PIK3CDPIK3CA
SCHEMBL4820476 0.86 MAOB (0.35) PDE10A
SCHEMBL4412563 0.84 GRM2 (0.40) GRM2PDE10AFGFR1KCNH2PIK3CD
SCHEMBL2138201 0.84 CBLB (0.33) PDE10AFGFR1CBLB
SCHEMBL1329062 0.82 PDE10A (0.34) PDE10AFGFR1PIK3CDPIK3CAPIK3CB
SCHEMBL1327361 0.82 S1PR1 (0.36) SCN9APARP10CCR5KCNH2
SCHEMBL1327605 0.81 C5AR1 (0.36) GRM2PDE10AFGFR1PIK3CDPIK3CA
SCHEMBL1327975 0.81 MEN1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL4412566 0.79 PIK3CD (0.36) GRM2PDE10AFGFR1PIK3CDPIK3CA

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 SCN9A 1307/4885GRM2 1783/4885PDE10A 712/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 SCN9A 1307/4885GRM2 1783/4885PDE10A 712/4885

“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.