SCHEMBL5021486

SCHEMBL5021486

COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3ccnc(OC)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.58
MAPKAPK2 P49137 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL5021483 0.89 GRM5 (0.58) GRM5MAPKAPK2ROCK2CYP3A4KDM4E
SCHEMBL5021825 0.88 GRM5 (0.57) GRM5MAPKAPK2ROCK2CYP3A4
SCHEMBL5021688 0.88 GRM5 (0.57) GRM5MAPKAPK2ROCK2CYP3A4KDM4E
SCHEMBL5021989 0.88 GRM5 (0.61) GRM5ROCK2CYP3A4KDM4EMEN1
SCHEMBL5021739 0.88 GRM5 (0.69) GRM5CYP3A4KDM4EMEN1NPC1
SCHEMBL5022012 0.86 GRM5 (0.57) GRM5SYK
SCHEMBL5021923 0.86 GRM5 (0.57) GRM5MAPKAPK2CYP3A4KDM4EMEN1
SCHEMBL5021369 0.86 GRM5 (0.61) GRM5CYP3A4KDM4EMEN1NPC1
SCHEMBL5021467 0.85 GRM5 (0.64) GRM5CYP3A4KDM4EMEN1NPC1
SCHEMBL5027157 0.85 GRM5 (0.73) GRM5CYP3A4KDM4EMEN1NPC1

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 1/4885MAPKAPK2 858/4885ROCK2 3192/4885

“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.