SCHEMBL9904654

SCHEMBL9904654

O=C(c1ccccc1F)N1CCn2nc(COc3ccccc3)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 20/20 1.00

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
SCHEMBL9926393 0.93 GRM5 (1.00) GRM5
SCHEMBL9926394 0.91 GRM5 (1.00) GRM5
SCHEMBL9926397 0.90 GRM5 (1.00) GRM5
SCHEMBL13968450 0.89 GRM5 (0.82) GRM5
SCHEMBL13968451 0.87 GRM5 (0.82) GRM5
SCHEMBL9926390 0.87 GRM5 (1.00) GRM5
SCHEMBL9900812 0.85 GRM5 (1.00) GRM5
SCHEMBL9926398 0.85 GRM5 (1.00) GRM5
SCHEMBL9926344 0.84 GRM5 (1.00) GRM5
SCHEMBL13968454 0.84 GRM5 (0.87) GRM5

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-9255103-B2 Substituted pyrazolo[1,5-a]pyrazines as mGluR5 receptor modulators VANDERBILT UNIVERSITY (US) 2016-02-09 US disclosed
US-9255103-B2 Substituted pyrazolo[1,5-a]pyrazines as mGluR5 receptor modulators VANDERBILT UNIVERSITY (US) 2016-02-09 US disclosed
US-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2014-07-31 US disclosed
US-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2014-07-31 US disclosed
US-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2014-07-31 US disclosed
US-8703946-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-04-22 US disclosed
US-8703946-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-04-22 US disclosed
US-8703946-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2014-04-22 US disclosed
EP-2648723-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-10-16 EP disclosed
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2012-11-22 US disclosed
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2012-11-22 US disclosed
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY 2012-11-22 US disclosed
WO-2012078817-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-14 WO disclosed
WO-2012078817-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-14 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 (2 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-20140213593-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 GRM5 1/4885
US-20120295913-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM3 GRM5 1/4885

“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.