SCHEMBL2138201

SCHEMBL2138201

CCc1cccc(CC)c1-c1cc(Oc2ccc(C(=O)O)cc2F)c(CN2CCOC(C)(C)C2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 1/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLP1R P43220 4/20 0.32
SSTR5 P35346 2/20 0.32
PDE10A Q9Y233 1/20 0.32
RAB9A P51151 1/20 0.31
S1PR1 P21453 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
PTGFR P43088 1/20 0.31
FGFR1 P11362 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
SCHEMBL1327259 0.84 SCN9A (0.37) CBLBPDE10AFGFR1
SCHEMBL1327605 0.80 C5AR1 (0.36) CBLBMEN1ALDH1A1KMT2ALMNA
SCHEMBL4820476 0.79 MAOB (0.35) PDE10A
SCHEMBL4412563 0.79 GRM2 (0.40) CBLBPDE10AFGFR1
SCHEMBL1326756 0.78 SCN9A (0.34) CBLBALDH1A1PDE10AFGFR1
SCHEMBL1327051 0.78 PDE10A (0.34) SMN1; SMN2PDE10AFGFR1
SCHEMBL1329062 0.78 PDE10A (0.34) CBLBPDE10AFGFR1
SCHEMBL1327524 0.77 PIK3CD (0.42) CBLBPDE10AFGFR1
SCHEMBL4412566 0.76 PIK3CD (0.36) CBLBPDE10AFGFR1
SCHEMBL2141010 0.74 PDE10A (0.34) CBLBALDH1A1KMT2APDE10AFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 CBLB 3140/4885HTT 4493/4885MAPT 4726/4885

“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.