SCHEMBL6928852

SCHEMBL6928852

C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 1.00
GABRA5 P31644 6/20 0.54
CXCR2 P25025 2/20 0.53
CXCR1 P25024 1/20 0.53

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
SCHEMBL12398879 1.00 GRM5 (1.00) GRM5GABRA5CXCR2CXCR1
SCHEMBL12398869 1.00 GRM5 (1.00) GRM5GABRA5CXCR2CXCR1
SCHEMBL6928893 0.93 GRM5 (0.86) GRM5GABRA5CXCR2CXCR1
SCHEMBL2158725 0.93 GRM5 (0.86) GRM5GABRA5CXCR2CXCR1
SCHEMBL2158717 0.93 GRM5 (0.86) GRM5GABRA5CXCR2CXCR1
SCHEMBL6928007 0.92 GRM5 (0.85) GRM5GABRA5CXCR2CXCR1
SCHEMBL12398876 0.92 GRM5 (0.85) GRM5GABRA5CXCR2CXCR1
SCHEMBL6928789 0.90 GRM5 (0.82) GRM5GABRA5CXCR2CXCR1
SCHEMBL6929952 0.89 GRM5 (0.81) GRM5GABRA5CXCR2CXCR1
SCHEMBL6929730 0.88 GRM5 (0.78) GRM5GABRA5CXCR2CXCR1

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 1/4885GABRA5 26/4885CXCR2 2454/4885

“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.