SCHEMBL156126

SCHEMBL156126

COC(=O)c1nc2c(o1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAPT P10636 2/20 0.35
ENPP2 Q13822 3/20 0.35
PDE4B Q07343 1/20 0.34
MTOR P42345 2/20 0.34
NAMPT P43490 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
PIK3CA P42336 1/20 0.34
HDAC1 Q13547 1/20 0.33
PKM P14618 1/20 0.33
STS P08842 1/20 0.33
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33

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
SCHEMBL740910 0.89 MAPT (0.44) NR1H2USP2SMN1; SMN2MAPTENPP2
SCHEMBL15293389 0.86 USP2 (0.39) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL175997 0.86 USP2 (0.39) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL15846182 0.81 USP2 (0.41) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL26090543 0.77 USP2 (0.38) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL155409 0.77 USP2 (0.38) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL31409384 0.76 ADORA1 (0.48) NR1H2USP2SMN1; SMN2MAPTENPP2
SCHEMBL31409400 0.75 MAPT (0.44) NR1H2USP2SMN1; SMN2MAPTMTOR
SCHEMBL30889386 0.73 CKS1B (0.45) NAMPTPKM
SCHEMBL30537238 0.73 ENPP2 (0.40) NR1H2USP2SMN1; SMN2MAPTENPP2

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 NR1H2 533/4885USP2 3637/4885SMN1; SMN2 1984/4885

“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.