SCHEMBL159100

SCHEMBL159100

O=C(c1ccc(F)cc1)N1CCc2nc(/C=C/c3ccccc3)oc2CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.49
KCNH2 Q12809 1/20 0.49
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
HSD11B1 P28845 1/20 0.43
MGLL Q99685 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A7 Q99884 1/20 0.42
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL159101 1.00 GRM5 (0.49) GRM5KCNH2CASP3SENP8SENP7
SCHEMBL158839 0.93 GRM5 (0.58) GRM5KCNH2MEN1KMT2AKDM4E
SCHEMBL158838 0.93 GRM5 (0.58) GRM5KCNH2MEN1KMT2AKDM4E
SCHEMBL15293375 0.89 GRM5 (0.49) GRM5KCNH2MEN1KMT2AKDM4E
SCHEMBL1503817 0.78 ELANE (0.41) GRM5MEN1KMT2AKDM4ERAB9A
SCHEMBL1503816 0.78 ELANE (0.41) GRM5MEN1KMT2AKDM4ERAB9A
SCHEMBL157831 0.76 GRM5 (0.63) GRM5KCNH2
SCHEMBL158393 0.76 GRM5 (0.78) GRM5
SCHEMBL157684 0.72 GAA (0.47) GRM5MEN1KMT2AKDM4ENPC1
SCHEMBL157685 0.72 GAA (0.47) GRM5MEN1KMT2AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
EP-2611298-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Vanderbilt University (US) 2013-07-10 EP disclosed
WO-2012031024-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-03-08 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-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1714/4885CASP3 3560/4885

“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.