SCHEMBL6928096

SCHEMBL6928096

O=C(NCC1CCOCC1)c1ccc(OCc2ccccc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.61
BRD4 O60885 1/20 0.61
CXCR2 P25025 1/20 0.51
GABRA1 P14867 1/20 0.51

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
SCHEMBL6928873 0.92 GABRA5 (0.65) GABRA5CXCR2GABRA1
SCHEMBL6929685 0.90 GABRA5 (0.60) GABRA5CXCR2GABRA1
SCHEMBL12398738 0.89 GABRA5 (0.59) GABRA5CXCR2
SCHEMBL6931281 0.88 GABRA5 (0.61) GABRA5BRD4CXCR2
SCHEMBL6929724 0.84 GABRA5 (0.69) GABRA5BRD4
SCHEMBL16054541 0.81 GABRA5 (0.50) GABRA5GABRA1
SCHEMBL6930855 0.80 GABRA5 (0.66) GABRA5CXCR2GABRA1
SCHEMBL1461190 0.78 CHRM4 (0.53) GABRA5BRD4CXCR2
SCHEMBL10248035 0.78 HPGDS (0.56) GABRA5BRD4
SCHEMBL6927885 0.77 GABRA5 (0.60) GABRA5CXCR2

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 26/4885BRD4 120/4885CXCR2 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.