SCHEMBL5021782

SCHEMBL5021782

O=C1N[C@@H](c2cc(-c3ccccc3F)ccn2)[C@H](c2ccc(F)cc2)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.53
TGFBR1 P36897 1/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
RPS6KA4 O75676 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38
CDK1 P06493 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MAPK1 P28482 1/20 0.38
AXL P30530 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL5021781 1.00 GRM5 (0.53) GRM5TGFBR1PLK4MAPK13DAPK3
SCHEMBL5022042 0.89 GRM5 (0.51) GRM5MAPKAPK2PGR
SCHEMBL5022041 0.89 GRM5 (0.51) GRM5MAPKAPK2PGR
SCHEMBL5021738 0.88 GRM5 (0.58) GRM5PGRKCNH2
SCHEMBL5021741 0.88 GRM5 (0.58) GRM5PGRKCNH2
SCHEMBL5021767 0.88 GRM5 (0.54) GRM5TGFBR1MAPKAPK2
SCHEMBL5021768 0.88 GRM5 (0.54) GRM5TGFBR1MAPKAPK2
SCHEMBL5021806 0.85 GRM5 (0.51) GRM5MAPKAPK2
SCHEMBL5021801 0.85 GRM5 (0.51) GRM5MAPKAPK2
SCHEMBL5022187 0.83 GRM5 (0.49) GRM5MAP4K4MAPKAPK2MAPK14

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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO 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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885TGFBR1 2140/4885PLK4 2414/4885

“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.