SCHEMBL5021702

SCHEMBL5021702

COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3cccc(C#N)c3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.68
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.40
PGR P06401 2/20 0.39
P4HB P07237 1/20 0.39
MCHR1 Q99705 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL5022009 0.90 GRM5 (0.58) GRM5
SCHEMBL16363897 0.89 GRM5 (0.82) GRM5ALDH1A1
SCHEMBL5021739 0.89 GRM5 (0.69) GRM5ALDH1A1KDM4EGAAPGR
SCHEMBL5021381 0.86 GRM5 (0.73) GRM5ALDH1A1KDM4EHTR2C
SCHEMBL5021180 0.86 GRM5 (0.73) GRM5ALDH1A1KDM4EHTR2C
SCHEMBL5027157 0.86 GRM5 (0.73) GRM5ALDH1A1KDM4EHTR2C
SCHEMBL5021912 0.86 GRM5 (0.73) GRM5ALDH1A1KDM4EHTR2C
SCHEMBL13640424 0.86 GRM5 (0.84) GRM5ALDH1A1
SCHEMBL5021923 0.85 GRM5 (0.57) GRM5ALDH1A1KDM4EGLAGAA
SCHEMBL5021865 0.84 GRM5 (0.61) GRM5ALDH1A1KDM4EGLAGAA

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 1/4885ALDH1A1 3633/4885KDM4E 2088/4885

“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.