SCHEMBL6931271

SCHEMBL6931271

COc1cccc(COc2ccc(C(=O)N[C@H](C)C(C)(C)C)cn2)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.76
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRN P28799 2/20 0.45
SORT1 Q99523 2/20 0.45
ROCK2 O75116 1/20 0.45
PRKG1 Q13976 1/20 0.45
GABRA5 P31644 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
PRKX P51817 1/20 0.43
PRKCQ Q04759 1/20 0.43
ROCK1 Q13464 1/20 0.43
GABRA1 P14867 1/20 0.43

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
SCHEMBL6931792 0.87 GRM5 (0.66) GRM5MEN1KMT2AGRNSORT1
SCHEMBL6928852 0.87 GRM5 (1.00) GRM5GABRA5
SCHEMBL12398879 0.87 GRM5 (1.00) GRM5GABRA5
SCHEMBL12398869 0.87 GRM5 (1.00) GRM5GABRA5
SCHEMBL6928067 0.86 GRM5 (0.74) GRM5GABRA5
SCHEMBL12398898 0.82 GRM5 (0.71) GRM5GABRA5GABRA1
SCHEMBL6928004 0.81 GRM5 (0.69) GRM5GABRA5
SCHEMBL6928893 0.80 GRM5 (0.86) GRM5GABRA5
SCHEMBL2158725 0.80 GRM5 (0.86) GRM5GABRA5
SCHEMBL2158717 0.80 GRM5 (0.86) GRM5GABRA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183980-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
US-20110183980-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
WO-2011035324-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS VANDERBILT UNIVERSITY (US) 2011-03-24 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-20110183980-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 GRM5 1/4885MEN1 4615/4885KMT2A 1561/4885

“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.