SCHEMBL5021716

SCHEMBL5021716

COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccccc3F)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.53
LMNA P02545 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CFTR P13569 1/20 0.39
CYP19A1 P11511 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
SCHEMBL5021676 0.86 GRM5 (0.57) GRM5
SCHEMBL13642171 0.86 GRM5 (0.57) GRM5
SCHEMBL13641978 0.85 GRM5 (0.60) GRM5LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5021914 0.85 GRM5 (0.60) GRM5LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5021570 0.84 GRM5 (0.52) GRM5NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5022002 0.84 GRM5 (0.51) GRM5
SCHEMBL13584787 0.82 GRM5 (0.58) GRM5
SCHEMBL13642192 0.82 GRM5 (0.62) GRM5LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13642110 0.82 GRM5 (0.62) GRM5LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4538432 0.81 GRM5 (0.56) GRM5LMNANPC1RAB9ASMN1; SMN2

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 1/4885LMNA 4607/4885NPC1 2612/4885

“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.