SCHEMBL12465248

SCHEMBL12465248

O=C(NC1C2CC3CCCC1[C@H]3C2)c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
CXCR2 P25025 1/20 0.48
GABRA5 P31644 10/20 0.47

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
SCHEMBL6930968 0.83 EPHX2 (0.53) CHRNB2CHRNA7CHRNA4CXCR2GABRA5
SCHEMBL6930206 0.82 GABRA5 (0.64) CXCR2GABRA5
SCHEMBL6930892 0.80 GABRA5 (0.64) GABRA5
SCHEMBL6931414 0.79 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4CXCR2GABRA5
SCHEMBL6929807 0.79 GABRA5 (0.64) GABRA5
SCHEMBL6930956 0.77 CXCR2 (0.51) CHRNB2CHRNA7CHRNA4CXCR2GABRA5
SCHEMBL6929985 0.77 CXCR2 (0.46) CHRNB2CHRNA7CHRNA4CXCR2GABRA5
SCHEMBL6927995 0.76 GABRA5 (0.47) CHRNB2CHRNA7CHRNA4CXCR2GABRA5
SCHEMBL6930269 0.76 GABRA5 (0.66) GABRA5
SCHEMBL6929685 0.76 GABRA5 (0.60) CHRNB2CHRNA7CHRNA4CXCR2GABRA5

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 1 patent. 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

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 CHRNB2 101/4885CHRNA7 58/4885CHRNA4 37/4885

“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.