SCHEMBL9942431

SCHEMBL9942431

Cc1cccc(OCc2cc3n(n2)CCN(CC2CC2)C3=O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.55
GRM3 Q14832 3/20 0.55
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9936866 0.89 GRM5 (0.61) GRM5GRM3CYP1A2
SCHEMBL9941101 0.86 GRM5 (0.48) GRM5GRM3CYP1A2
SCHEMBL9941272 0.85 CYP1A2 (0.61) GRM5GRM3CYP1A2
SCHEMBL9939097 0.84 GRM5 (0.62) GRM5GRM3CYP1A2
SCHEMBL9938803 0.84 GRM5 (0.60) GRM5GRM3CYP1A2
SCHEMBL9940958 0.83 GRM5 (0.52) GRM5GRM3CYP1A2
SCHEMBL9938041 0.83 GRM5 (0.66) GRM5GRM3
SCHEMBL9941496 0.80 GRM5 (0.61) GRM5GRM3CYP1A2
SCHEMBL9937699 0.79 GRM5 (0.62) GRM5GRM3CYP1A2
SCHEMBL9938251 0.79 GRM5 (0.49) GRM5GRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057870-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-02-27 US disclosed
US-8592422-B2 Bicyclic triazole and pyrazole lactams as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2013-11-26 US disclosed
EP-2651222-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-10-23 EP disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
WO-2012083224-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-21 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-20140057870-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A GRM5 1/4885GRM3 4/4885CYP1A2 2805/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A GRM5 1/4885GRM3 4/4885CYP1A2 2805/4885

“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.