SCHEMBL5183960

SCHEMBL5183960

CC(C)(C)OC(=O)NCCOc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.43
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ BCHE P06276 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KLKB1 P03952 3/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ RIPK3 Q9Y572 1/20 0.38
▸ SLC5A1 P13866 1/20 0.38
▸ SUCNR1 Q9BXA5 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ DRD2 P14416 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
SCHEMBL5430825 0.88 MTNR1A (0.42) KLKB1MAPT
SCHEMBL5433959 0.87 KLKB1 (0.42) KLKB1MAPT
SCHEMBL14902860 0.86 KLKB1 (0.40) KLKB1MAPT
SCHEMBL5435775 0.86 L3MBTL1 (0.41) KLKB1MAPT
SCHEMBL5431643 0.84 RIPK3 (0.47) RIPK3MAPT
SCHEMBL5184233 0.83 KLKB1 (0.39) KLKB1MAPT
SCHEMBL5439520 0.82 MAPT (0.46) MAPT
SCHEMBL5449004 0.81 MAPT (0.40) KLKB1MAPT
SCHEMBL5439446 0.80 MAPT (0.44) KLKB1MAPT
SCHEMBL5184239 0.80 MAPT (0.39) CNR2KLKB1MAPTDRD2

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-1799646-B1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2014-12-10 — — EP disclosed
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS ADDEX PHARMACEUTICALS S.A. (CH) 2013-05-02 — — US disclosed
US-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 — — US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 — — US disclosed
EP-1799646-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 — — EP disclosed
WO-2006030032-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 — — 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-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 CA12 4788/4885CA1 4514/4885CA2 2225/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 CA12 4739/4885CA1 4559/4885CA2 2048/4885

“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.

Send feedback