SCHEMBL160278

SCHEMBL160278

CCOC(=O)N1CCc2nc(C=O)oc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
PABPC1 P11940 1/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35

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
SCHEMBL743031 0.84 MAPT (0.43) GRM5SMN1; SMN2MAPT
SCHEMBL157684 0.83 GAA (0.47) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL157685 0.83 GAA (0.47) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL158914 0.81 GRM5 (0.36) GRM5
SCHEMBL158866 0.81 GRM5 (0.44) GRM5CYP3A4TSHR
SCHEMBL31409384 0.72 ADORA1 (0.48) SMN1; SMN2ALDH1A1GAAMAPTLMNA
SCHEMBL158950 0.72 GRM5 (0.65) GRM5SMN1; SMN2MAPT
SCHEMBL170601 0.72 TSHR (0.45) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL568818 0.69 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL15492378 0.69 NPC1 (0.47) GRM5CYP3A4TSHRRAB9AHSD17B10

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 9 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
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 1/4885CYP1A2 3451/4885CYP3A4 3165/4885

“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.