SCHEMBL6927923

SCHEMBL6927923

CC(C)(C)NC(=O)c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.63
CXCR2 P25025 2/20 0.59
GRM5 P41594 1/20 0.54
EPHX2 P34913 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
CXCR1 P25024 1/20 0.49
FFAR1 O14842 1/20 0.49
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46

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
SCHEMBL6928870 0.86 GRM5 (0.74) GABRA5CXCR2GRM5CXCR1
SCHEMBL28703922 0.83 CXCR2 (0.64) CXCR2GRM5EPHX2CHRNB2CHRNA7
SCHEMBL1461093 0.83 EPHX2 (0.56) GABRA5CXCR2GRM5EPHX2GRN
SCHEMBL13701697 0.82 MAPT (0.62) GABRA5CXCR2CXCR1
SCHEMBL6927893 0.81 CXCR2 (0.68) GABRA5CXCR2CXCR1
SCHEMBL13701718 0.81 GRN (0.63) GABRA5GRNSORT1
SCHEMBL246555 0.81 GABRA5 (0.60) GABRA5CXCR2CHRNB2CHRNA7CHRNA4
SCHEMBL1091737 0.80 MAOB (0.62) CXCR2CHRNB2CHRNA7CHRNA4FFAR1
SCHEMBL1221922 0.80 MAPT (0.63) GABRA5CXCR2CHRNB2CHRNA7CHRNA4
SCHEMBL13701799 0.79 NNMT (0.58) GABRA5CXCR2CXCR1GRNSORT1

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 GABRA5 26/4885CXCR2 2454/4885GRM5 1/4885

“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.