SCHEMBL504523

SCHEMBL504523

O=C1NCCc2cc(C#Cc3ccc(Cl)cc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.78
PARP10 Q53GL7 6/20 0.56
PARP1 P09874 2/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
PARP11 Q9NR21 5/20 0.55
PDPK1 O15530 1/20 0.46

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
SCHEMBL504254 0.87 GRM5 (1.00) GRM5PARP10PARP1F7F3
SCHEMBL504253 0.87 GRM5 (1.00) GRM5PARP10PARP1PARP11PDPK1
SCHEMBL504324 0.85 GRM5 (0.76) GRM5PARP10PARP1PARP11PDPK1
SCHEMBL504325 0.85 GRM5 (1.00) GRM5PARP10PARP1PARP11
SCHEMBL10190815 0.85 GRM5 (0.78) GRM5PARP10PARP1PARP11PDPK1
SCHEMBL1315035 0.82 PARP10 (0.74) GRM5PARP10PARP1F7F3
SCHEMBL504524 0.82 GRM5 (1.00) GRM5PARP10PARP1PARP11PDPK1
SCHEMBL504342 0.82 GRM5 (0.79) GRM5PARP10PARP11
SCHEMBL505174 0.82 GRM5 (0.71) GRM5PARP10PARP1PARP11PDPK1
SCHEMBL504655 0.81 GRM5 (0.82) GRM5PARP10PARP1PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2012-02-02 US disclosed
US-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 US disclosed
US-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 US disclosed
US-8034806-B2 Bicyclic mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2011-10-11 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-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2009-10-29 US disclosed
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2009-10-29 US disclosed
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2009-10-29 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 (3 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-20120028955-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 GRM5 1/4885PARP10 2146/4885PARP1 3964/4885
US-20120028956-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 GRM5 1/4885PARP10 2146/4885PARP1 3964/4885
US-20090270362-A1 BICYCLIC MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM1 GRM5 1/4885PARP10 2146/4885PARP1 3964/4885

“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.