SCHEMBL6928898

SCHEMBL6928898

Cc1cc(C(=O)NCCC(C)(C)C)cnc1OCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
SCN9A Q15858 1/20 0.43
MAOB P27338 3/20 0.42
NR4A2 P43354 2/20 0.41
SGMS2 Q8NHU3 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
HPGDS O60760 1/20 0.40
PARP10 Q53GL7 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
SCHEMBL6929861 0.89 GRM5 (0.48) GRM5MAOBNR4A2SGMS2MRGPRX4
SCHEMBL6929584 0.88 GRM5 (0.47) GRM5MAOBSGMS2MRGPRX4
SCHEMBL6927929 0.87 GRM5 (0.46) GRM5MAOBNR4A2SGMS2MRGPRX4
SCHEMBL2158904 0.84 GRM5 (0.68) GRM5MAOB
SCHEMBL6930489 0.83 MEN1 (0.43) SCN9A
SCHEMBL6929950 0.81 GRM5 (0.54) GRM5MAOBNR4A2SGMS2PARP10
SCHEMBL6929258 0.79 KDM4E (0.48) GRM5SGMS2
SCHEMBL12398896 0.77 KDM4E (0.52) GRM5MAOBSGMS2MRGPRX4
SCHEMBL6931129 0.76 GRM5 (0.51) GRM5MAOB
SCHEMBL6929270 0.74 GRM5 (0.47) GRM5MAOBMRGPRX4

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 1/4885SCN9A 895/4885MAOB 1215/4885

“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.