SCHEMBL6929807

SCHEMBL6929807

O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.64
SGMS2 Q8NHU3 1/20 0.60
CNR2 P34972 2/20 0.58
CNR1 P21554 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL6930892 0.99 GABRA5 (0.64) GABRA5SGMS2CNR2CNR1MEN1
SCHEMBL6930206 0.96 GABRA5 (0.64) GABRA5MEN1ALDH1A1KMT2A
SCHEMBL6930058 0.89 GABRA5 (0.57) GABRA5CNR2CNR1
SCHEMBL6929724 0.88 GABRA5 (0.69) GABRA5
SCHEMBL6928154 0.88 GABRA5 (0.60) GABRA5CNR2CNR1
SCHEMBL6929239 0.87 GABRA5 (0.61) GABRA5
SCHEMBL2158905 0.87 GRM5 (0.60) GABRA5
SCHEMBL6930269 0.85 GABRA5 (0.66) GABRA5CNR1
SCHEMBL12398743 0.85 GABRA5 (0.61) GABRA5CNR2CNR1
SCHEMBL6930805 0.85 GABRA5 (0.59) GABRA5

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 26/4885SGMS2 2235/4885CNR2 155/4885

“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.