SCHEMBL9941534

SCHEMBL9941534

CC(NCCn1nc(COc2ccccc2)cc1C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.41
GRN P28799 4/20 0.41
SORT1 Q99523 4/20 0.41
CHRM3 P20309 1/20 0.39
SRD5A2 P31213 1/20 0.37
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
MCTS1 Q9ULC4 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL9941529 1.00 GRM5 (0.41) GRM5GRNSORT1CHRM3SRD5A2
SCHEMBL12076839 0.89 GRM5 (0.41) GRM5
SCHEMBL9977671 0.89 GRM5 (0.41) GRM5
SCHEMBL9937521 0.78 GRM5 (0.46) GRM5GRNSORT1SRD5A2
SCHEMBL9900971 0.74 GRM5 (0.45) GRM5
SCHEMBL9900973 0.74 GRM5 (0.41) GRM5
SCHEMBL17334271 0.71 SYK (0.41) GRM5GRNSORT1CHRM3
SCHEMBL17334270 0.71 SYK (0.41) GRM5GRNSORT1CHRM3
SCHEMBL9900560 0.71 ADORA3 (0.41) GRM5
SCHEMBL9900824 0.68 GRM5 (0.42) 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 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 1/4885GRN 1344/4885SORT1 3452/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A GRM5 1/4885GRN 1344/4885SORT1 3452/4885

“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.