SCHEMBL4412563

SCHEMBL4412563

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
CBLB Q13191 1/20 0.36
PIK3CD O00329 4/20 0.36
PIK3CG P48736 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CA P42336 2/20 0.36
PARP1 P09874 3/20 0.35
PDE10A Q9Y233 1/20 0.35
FGFR1 P11362 1/20 0.34
OPRL1 P41146 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 1/20 0.33
KCNH2 Q12809 1/20 0.33
PIK3C2B O00750 3/20 0.32
C5AR1 P21730 2/20 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
SCHEMBL4412566 0.86 PIK3CD (0.36) GRM2CBLBPIK3CDPIK3CGPIK3CB
SCHEMBL1326756 0.85 SCN9A (0.34) GRM2CBLBPIK3CDPIK3CGPIK3CB
SCHEMBL1327524 0.85 PIK3CD (0.42) GRM2CBLBPIK3CDPIK3CGPIK3CB
SCHEMBL1327259 0.84 SCN9A (0.37) GRM2CBLBPIK3CDPIK3CGPIK3CB
SCHEMBL1327605 0.81 C5AR1 (0.36) GRM2CBLBPIK3CDPIK3CGPIK3CB
SCHEMBL4820476 0.79 MAOB (0.35) PDE10A
SCHEMBL4410374 0.79 CYP2A13 (0.41) GRM2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2138201 0.79 CBLB (0.33) CBLBPDE10AFGFR1
SCHEMBL4417666 0.77 KMT2A (0.45) PARP1C5AR1PARP2
SCHEMBL1327051 0.77 PDE10A (0.34) PIK3CDPIK3CGPIK3CBPIK3CAPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 GRM2 1783/4885CBLB 3140/4885PIK3CD 1973/4885

“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.