SCHEMBL6932033

SCHEMBL6932033

C[C@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.68
GABRA5 P31644 4/20 0.52
CXCR1 P25024 1/20 0.52
CXCR2 P25025 1/20 0.52

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
SCHEMBL6930884 1.00 GRM5 (0.68) GRM5GABRA5CXCR1CXCR2
SCHEMBL12398895 1.00 GRM5 (0.68) GRM5GABRA5CXCR1CXCR2
SCHEMBL6929772 0.97 GRM5 (0.69) GRM5GABRA5CXCR1CXCR2
SCHEMBL6929855 0.95 GRM5 (0.72) GRM5GABRA5CXCR1CXCR2
SCHEMBL6929212 0.91 GRM5 (0.66) GRM5GABRA5CXCR1CXCR2
SCHEMBL6930263 0.89 GRM5 (0.62) GRM5GABRA5CXCR1CXCR2
SCHEMBL2159038 0.88 CHRNB2 (0.52) GRM5GABRA5CXCR2
SCHEMBL2159138 0.88 CHRNB2 (0.52) GRM5GABRA5CXCR2
SCHEMBL1461188 0.88 CHRNB2 (0.52) GRM5GABRA5CXCR2
SCHEMBL6928789 0.88 GRM5 (0.82) GRM5GABRA5CXCR1CXCR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140279-A1 SYNERGISTIC MODULATORS OF ALPHA-DICARBONYL DETOXIFICATION AND THEIR USE FOR INDUCING WEIGHT LOSS AND THE TREATMENT OF DIABETIC PATHOLOGIES BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2022-06-30 WO 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
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 26/4885CXCR1 2582/4885

“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.