SCHEMBL5021777

SCHEMBL5021777

O=C1N[C@H](c2cc(-c3cccc(Cl)c3)ccn2)[C@@H](c2ccc(F)cc2)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.48
PIM1 P11309 1/20 0.38
FADS1 O60427 1/20 0.38
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37

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
SCHEMBL5021775 1.00 GRM5 (0.48) GRM5PIM1FADS1GCGRMAPK14
SCHEMBL5022209 0.90 GRM5 (0.49) GRM5MAPK14
SCHEMBL5022187 0.90 GRM5 (0.49) GRM5MAPK14
SCHEMBL5021801 0.90 GRM5 (0.51) GRM5
SCHEMBL5021806 0.90 GRM5 (0.51) GRM5
SCHEMBL5021741 0.89 GRM5 (0.58) GRM5
SCHEMBL5021738 0.89 GRM5 (0.58) GRM5
SCHEMBL5021768 0.89 GRM5 (0.54) GRM5
SCHEMBL5021767 0.89 GRM5 (0.54) GRM5
SCHEMBL5022041 0.85 GRM5 (0.51) GRM5

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 1/4885PIM1 4624/4885FADS1 2339/4885

“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.