SCHEMBL6929948

SCHEMBL6929948

Cc1cc(OCc2cccc(F)c2)ncc1C(=O)N[C@H](C)C(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.76
MAOB P27338 4/20 0.43
GABRA5 P31644 1/20 0.42
ACACB O00763 1/20 0.42
MAOA P21397 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL6929971 0.89 GRM5 (0.69) GRM5MAOBGABRA5ACACBMAOA
SCHEMBL6928852 0.87 GRM5 (1.00) GRM5GABRA5
SCHEMBL12398879 0.87 GRM5 (1.00) GRM5GABRA5
SCHEMBL12398869 0.87 GRM5 (1.00) GRM5GABRA5
SCHEMBL6931947 0.82 GRM5 (0.68) GRM5MAOBMAOASCN9A
SCHEMBL1462367 0.82 GRM5 (0.68) GRM5MAOBMAOASCN9A
SCHEMBL1462369 0.82 GRM5 (0.68) GRM5MAOBMAOASCN9A
SCHEMBL6930856 0.82 GRM5 (0.52) GRM5MAOBGABRA5ACACBMAOA
SCHEMBL6929950 0.82 GRM5 (0.54) GRM5MAOBMAOA
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 1/4885MAOB 1215/4885GABRA5 26/4885

“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.