SCHEMBL5021686

SCHEMBL5021686

O=C1N[C@@H](c2cccc(-c3ccccc3)n2)[C@H](c2c(F)cc(F)cc2F)O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 18/20 0.45
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.34

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
SCHEMBL5021685 1.00 GRM5 (0.45) GRM5MEN1RAB9AKMT2APGR
SCHEMBL10279583 0.87 GRM5 (0.54) GRM5MEN1RAB9AKMT2APGR
SCHEMBL10279582 0.87 GRM5 (0.54) GRM5MEN1RAB9AKMT2APGR
SCHEMBL5021544 0.87 GRM5 (0.52) GRM5MEN1RAB9AKMT2A
SCHEMBL5021546 0.87 GRM5 (0.52) GRM5MEN1RAB9AKMT2A
SCHEMBL16364184 0.83 GRM5 (0.58) GRM5
SCHEMBL10279529 0.83 GRM5 (0.49) GRM5MEN1RAB9AKMT2APGR
SCHEMBL10279528 0.83 GRM5 (0.49) GRM5MEN1RAB9AKMT2APGR
SCHEMBL5021742 0.83 GRM5 (0.54) GRM5MEN1RAB9AKMT2A
SCHEMBL13642150 0.83 GRM5 (0.54) GRM5MEN1RAB9AKMT2A

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 1/4885MEN1 4226/4885RAB9A 2438/4885

“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.