SCHEMBL15254635

SCHEMBL15254635

CON(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
SLC9A1 P19634 1/20 0.49
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MCL1 Q07820 2/20 0.44
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 2/20 0.43
GPR88 Q9GZN0 2/20 0.42
SIGMAR1 Q99720 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
SCHEMBL15254908 1.00 EPHX2 (0.52) EPHX2SLC9A1MAPTL3MBTL1HRH3
SCHEMBL5683647 1.00 EPHX2 (0.52) EPHX2SLC9A1MAPTL3MBTL1HRH3
SCHEMBL6250729 0.85 MAPT (0.51) EPHX2MAPTL3MBTL1MCL1GPR88
SCHEMBL225810 0.85 EPHX2 (0.49) EPHX2SLC9A1L3MBTL1MCL1GPR88
SCHEMBL2741827 0.85 EPHX2 (0.49) EPHX2SLC9A1L3MBTL1MCL1GPR88
SCHEMBL225811 0.85 EPHX2 (0.49) EPHX2SLC9A1L3MBTL1MCL1GPR88
SCHEMBL17146213 0.84 MCL1 (0.55) EPHX2SLC9A1MAPTMCL1GPR88
SCHEMBL17590033 0.84 MCL1 (0.55) EPHX2SLC9A1MAPTMCL1GPR88
SCHEMBL13929891 0.84 MCL1 (0.55) EPHX2SLC9A1MAPTMCL1GPR88
SCHEMBL15208924 0.84 MCL1 (0.55) EPHX2SLC9A1MAPTMCL1GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2825538-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2016-06-01 EP disclosed
EP-2825538-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Bristol-Myers Squibb Company (US) 2015-01-21 EP disclosed
US-8765767-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-01 US disclosed
WO-2013138687-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-19 WO disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130245042-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2013-09-19 US 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-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 EPHX2 531/4885SLC9A1 126/4885MAPT 2644/4885
US-20130245042-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2C EPHX2 2845/4885SLC9A1 1672/4885MAPT 1242/4885

“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.