SCHEMBL6930859

SCHEMBL6930859

O=C(NC(C1CC1)C1CC1)c1ccc(OCc2cccc(F)c2)nc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.70
CXCR2 P25025 3/20 0.56
CXCR1 P25024 2/20 0.56
GABRA5 P31644 3/20 0.50
NR4A2 P43354 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
SCHEMBL6929855 0.91 GRM5 (0.72) GRM5CXCR2CXCR1GABRA5
SCHEMBL6927894 0.89 GRM5 (0.67) GRM5CXCR2CXCR1GABRA5
SCHEMBL6929772 0.87 GRM5 (0.69) GRM5CXCR2CXCR1GABRA5
SCHEMBL6928789 0.87 GRM5 (0.82) GRM5CXCR2CXCR1GABRA5
SCHEMBL6932033 0.86 GRM5 (0.68) GRM5CXCR2CXCR1GABRA5
SCHEMBL12398895 0.86 GRM5 (0.68) GRM5CXCR2CXCR1GABRA5
SCHEMBL6930884 0.86 GRM5 (0.68) GRM5CXCR2CXCR1GABRA5
SCHEMBL6929212 0.85 GRM5 (0.66) GRM5CXCR2CXCR1GABRA5
SCHEMBL6929952 0.84 GRM5 (0.81) GRM5CXCR2CXCR1GABRA5NR4A2
SCHEMBL6928889 0.83 GRM5 (0.61) GRM5CXCR2CXCR1GABRA5

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 1/4885CXCR2 2454/4885CXCR1 2582/4885

“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.