SCHEMBL6929958

SCHEMBL6929958

Cc1nc(OCc2cccc(F)c2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.56
CNR1 P21554 7/20 0.56
IDH1 O75874 1/20 0.55
ABHD12 Q8N2K0 1/20 0.55
ABHD6 Q9BV23 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
GABRA5 P31644 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
SCHEMBL1462248 0.87 GRM5 (0.49) CNR2CNR1IDH1ABHD12
SCHEMBL1462251 0.87 CHRM4 (0.47) CNR2CNR1IDH1ABHD12
SCHEMBL2159803 0.87 GRM5 (0.49) CNR2CNR1IDH1ABHD12
SCHEMBL12398740 0.83 GABRA5 (0.49) GABRA5
SCHEMBL2158905 0.81 GRM5 (0.60) GABRA5
SCHEMBL1461980 0.80 MAOB (0.53)
SCHEMBL6931129 0.79 GRM5 (0.51)
SCHEMBL6928889 0.78 GRM5 (0.61) GABRA5
SCHEMBL6930986 0.76 GRM5 (0.46) CNR2CNR1IDH1
SCHEMBL13271571 0.76 HSD11B1 (0.61) CNR2CNR1IDH1SGMS2

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 CNR2 155/4885CNR1 173/4885IDH1 750/4885

“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.