SCHEMBL5433959

SCHEMBL5433959

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 7/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 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 0.91 MTNR1A (0.42) KLKB1PTGDR2MAPTNPC1ALDH1A1
SCHEMBL14902860 0.89 KLKB1 (0.40) KLKB1PTGDR2MAPTNPC1HRH3
SCHEMBL5435775 0.89 L3MBTL1 (0.41) KLKB1PTGDR2MAPTHRH3
SCHEMBL5183960 0.87 CA12 (0.43) KLKB1MAPT
SCHEMBL5184233 0.86 KLKB1 (0.39) KLKB1PTGDR2MAPTHRH3ALDH1A1
SCHEMBL16275018 0.85 MAPT (0.44) PTGDR2MAPTALDH1A1MKNK1MKNK2
SCHEMBL5194991 0.85 MAPT (0.46) KLKB1PTGDR2MAPTHRH3MKNK1
SCHEMBL5439520 0.85 MAPT (0.46) PTGDR2MAPTHRH3MKNK1MKNK2
SCHEMBL5439478 0.84 MAPT (0.45) KLKB1PTGDR2MAPTHRH3MKNK1
SCHEMBL5449004 0.84 MAPT (0.40) KLKB1PTGDR2MAPTHRH3ALDH1A1

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 4 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

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 KLKB1 4191/4885PTGDR2 85/4885MAPT 2615/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 KLKB1 4319/4885PTGDR2 78/4885MAPT 2062/4885

“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.

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