SCHEMBL6928877

SCHEMBL6928877

O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.71
CNR2 P34972 6/20 0.71
CNR1 P21554 1/20 0.61
CXCR2 P25025 1/20 0.55
TSHR P16473 1/20 0.53
UCHL1 P09936 1/20 0.49
EPHX2 P34913 3/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48

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
SCHEMBL12020356 0.80 CNR2 (0.68) FAAHCNR2CNR1TSHRUCHL1
SCHEMBL6930968 0.80 EPHX2 (0.53) CXCR2EPHX2CHRNB2CHRNA7CHRNA4
SCHEMBL6932570 0.79 CXCR2 (0.48) FAAHCNR2CXCR2CHRNB2CHRNA7
SCHEMBL28703922 0.78 CXCR2 (0.64) CXCR2EPHX2CHRNB2CHRNA7CHRNA4
SCHEMBL6927893 0.75 CXCR2 (0.68) CXCR2
SCHEMBL6928873 0.75 GABRA5 (0.65) CXCR2CHRNB2CHRNA7CHRNA4
SCHEMBL6930206 0.75 GABRA5 (0.64) CXCR2
SCHEMBL6930892 0.75 GABRA5 (0.64) CNR2CNR1
SCHEMBL6929807 0.74 GABRA5 (0.64) CNR2CNR1
SCHEMBL1221922 0.74 MAPT (0.63) CXCR2CHRNB2CHRNA7CHRNA4

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 FAAH 1187/4885CNR2 155/4885CNR1 173/4885

“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.