SCHEMBL5021901

SCHEMBL5021901

O=C1N[C@H](c2cc(-c3cccnc3)cnc2F)[C@@H](c2ccc(C(F)(F)F)cc2)O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.45
NTRK1 P04629 1/20 0.43
NPY5R Q15761 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
NPC1 O15118 2/20 0.38
RIPK1 Q13546 1/20 0.38
KDR P35968 2/20 0.37
EGFR P00533 1/20 0.37
FGFR1 P11362 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
S1PR1 P21453 1/20 0.36
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36
TNKS O95271 1/20 0.36

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
SCHEMBL5021682 0.90 GRM5 (0.55) GRM5KCNH2TNKS
SCHEMBL5021683 0.88 GRM5 (0.46) GRM5KCNH2TNKS
SCHEMBL5022127 0.85 GRM5 (0.48) GRM5NPY5RAAK1
SCHEMBL5022125 0.85 GRM5 (0.56) GRM5
SCHEMBL4537732 0.84 GRM5 (0.61) GRM5KCNH2
SCHEMBL4541726 0.81 GRM5 (0.43) GRM5
SCHEMBL5021869 0.79 GRM5 (0.57) GRM5KCNH2
SCHEMBL5021749 0.77 GRM5 (0.51) GRM5KCNH2
SCHEMBL5022091 0.75 GRM5 (0.71) GRM5KCNH2
SCHEMBL13642274 0.75 GRM5 (0.71) GRM5KCNH2

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 1/4885NTRK1 271/4885NPY5R 56/4885

“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.