SCHEMBL5021795

SCHEMBL5021795

COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccc4ccccc4n3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.58
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CNR2 P34972 1/20 0.41
KMT2A Q03164 2/20 0.40
F2 P00734 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
CDK1 P06493 1/20 0.39
MAPKAPK2 P49137 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
SCHEMBL5021776 0.85 GRM5 (0.59) GRM5KDM4ENPC1RAB9AKMT2A
SCHEMBL10279150 0.85 GRM5 (0.58) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL5021780 0.85 GRM5 (0.58) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL10279282 0.84 GRM5 (0.57) GRM5ALDH1A1KMT2AF2HPGD
SCHEMBL5021657 0.84 GRM5 (0.57) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL5021586 0.83 GRM5 (0.62) GRM5NPC1RAB9ASMN1; SMN2MAPKAPK2
SCHEMBL5021990 0.83 GRM5 (0.57) GRM5ALDH1A1KMT2AF2HPGD
SCHEMBL5027157 0.83 GRM5 (0.73) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL5021381 0.83 GRM5 (0.73) GRM5KDM4EALDH1A1NPC1RAB9A
SCHEMBL5021912 0.83 GRM5 (0.73) GRM5KDM4EALDH1A1NPC1RAB9A

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 1/4885KDM4E 2088/4885ALDH1A1 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.