SCHEMBL3677412

SCHEMBL3677412

N#Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.80
LMNA P02545 1/20 0.70

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
SCHEMBL1823352 0.89 GRM5 (1.00) GRM5
SCHEMBL29681972 0.89 GRM5 (1.00) GRM5
SCHEMBL2482825 0.88 GRM5 (1.00) GRM5LMNA
SCHEMBL5924170 0.84 GRM5 (1.00) GRM5LMNA
SCHEMBL5924104 0.82 GRM5 (1.00) GRM5LMNA
SCHEMBL14132974 0.81 GRM5 (0.85) GRM5LMNA
SCHEMBL1821818 0.81 GRM5 (0.76) GRM5LMNA
SCHEMBL5924064 0.80 GRM5 (1.00) GRM5LMNA
SCHEMBL14132564 0.80 GRM5 (0.91) GRM5LMNA
SCHEMBL15074519 0.79 GRM5 (0.57) GRM5LMNA

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
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
EP-2162136-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2010-03-17 EP disclosed
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 GRM5 1/4885LMNA 4804/4885

“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.