SCHEMBL5021724

SCHEMBL5021724

COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(-c3cccc(C#N)n3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.57
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSS P25774 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 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
SCHEMBL5021780 0.86 GRM5 (0.58) GRM5MEN1HTTKMT2AALDH1A1
SCHEMBL10279150 0.86 GRM5 (0.58) GRM5MEN1HTTKMT2AALDH1A1
SCHEMBL10279282 0.85 GRM5 (0.57) GRM5KMT2AHPGDALDH1A1PDGFRB
SCHEMBL5021657 0.85 GRM5 (0.57) GRM5MEN1HTTKMT2AALDH1A1
SCHEMBL5021923 0.84 GRM5 (0.57) GRM5MEN1HTTKMT2AHPGD
SCHEMBL13585043 0.83 GRM5 (0.73) GRM5
SCHEMBL5021977 0.83 GRM5 (0.56) GRM5ALDH1A1KDM4EL3MBTL1GLA
SCHEMBL5021702 0.83 GRM5 (0.68) GRM5ALDH1A1KDM4EL3MBTL1GLA
SCHEMBL5021586 0.83 GRM5 (0.62) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL5021739 0.82 GRM5 (0.69) GRM5MEN1HTTKMT2AALDH1A1

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 1/4885MEN1 4226/4885HTT 3168/4885

“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.