SCHEMBL13641978

SCHEMBL13641978

COc1cccc([C@@H]2OC(=O)N[C@H]2c2cccc(-c3ccccc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.60
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
PDE4B Q07343 3/20 0.41

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
SCHEMBL5021914 1.00 GRM5 (0.60) GRM5KMT2AALDH1A1F2HPGD
SCHEMBL5021570 0.90 GRM5 (0.52) GRM5KMT2AALDH1A1MEN1KDM4E
SCHEMBL5022002 0.89 GRM5 (0.51) GRM5
SCHEMBL5022007 0.86 GRM5 (0.63) GRM5KMT2AALDH1A1HPGDMEN1
SCHEMBL5022006 0.86 GRM5 (0.63) GRM5KMT2AALDH1A1HPGDMEN1
SCHEMBL5021716 0.85 GRM5 (0.53) GRM5KMT2AALDH1A1HPGDMEN1
SCHEMBL13642272 0.84 GRM5 (0.66) GRM5PDE4B
SCHEMBL13642271 0.84 GRM5 (0.66) GRM5PDE4B
SCHEMBL4538432 0.84 GRM5 (0.56) GRM5KMT2AALDH1A1MEN1KDM4E
SCHEMBL5021757 0.83 GRM5 (0.77) GRM5KMT2AALDH1A1MEN1KDM4E

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 1 patent. 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

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 1/4885KMT2A 3071/4885ALDH1A1 3633/4885

“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.