SCHEMBL6928005

SCHEMBL6928005

C[C@@H](NC(=O)c1ccc(OCc2ccncc2)nc1)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.51
GRM5 P41594 1/20 0.48
IDO1 P14902 1/20 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
SCHEMBL2158694 0.95 GABRA5 (0.51) GABRA5GRM5
SCHEMBL2158698 0.95 GABRA5 (0.51) GABRA5GRM5
SCHEMBL6930974 0.90 GRM5 (0.53) GABRA5GRM5
SCHEMBL1461188 0.85 CHRNB2 (0.52) GABRA5GRM5
SCHEMBL2159038 0.85 CHRNB2 (0.52) GABRA5GRM5
SCHEMBL2159138 0.85 CHRNB2 (0.52) GABRA5GRM5
SCHEMBL6929855 0.82 GRM5 (0.72) GABRA5GRM5
SCHEMBL6928004 0.82 GRM5 (0.69) GABRA5GRM5
SCHEMBL6930043 0.79 SMYD3 (0.45) GABRA5IDO1
SCHEMBL6929772 0.79 GRM5 (0.69) GABRA5GRM5

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 26/4885GRM5 1/4885IDO1 2193/4885

“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.