SCHEMBL6931129

SCHEMBL6931129

Cc1nc(OCc2cccc(F)c2)ccc1C(=O)NCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.51
MAOB P27338 5/20 0.43
MAOA P21397 2/20 0.43
CYP1A2 P05177 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
PDPK1 O15530 2/20 0.41
GPR52 Q9Y2T5 1/20 0.40

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
SCHEMBL6929270 0.88 GRM5 (0.47) GRM5MAOBMAOACYP1A2PDPK1
SCHEMBL6928867 0.87 NOX1 (0.53) NOX1
SCHEMBL6929950 0.85 GRM5 (0.54) GRM5MAOBMAOAGPR52
SCHEMBL1462251 0.84 CHRM4 (0.47) GRM5CYP1A2NOX1
SCHEMBL6930123 0.82 NOX1 (0.52) NOX1
SCHEMBL12398740 0.82 GABRA5 (0.49) GRM5MAOBMAOACYP1A2NOX1
SCHEMBL2158904 0.82 GRM5 (0.68) GRM5MAOB
SCHEMBL1461980 0.81 MAOB (0.53) GRM5MAOBMAOACYP1A2
SCHEMBL6929958 0.79 CNR2 (0.56)
SCHEMBL6928898 0.76 GRM5 (0.48) GRM5MAOB

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 1/4885MAOB 1215/4885MAOA 1920/4885

“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.