SCHEMBL5434618

SCHEMBL5434618

CC(=O)N(CCOc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.41
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ TSPO P30536 1/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34

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
SCHEMBL5184250 0.95 PTGDR2 (0.40) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL5445008 0.88 MAPT (0.43) PTGDR2MAPTALDH1A1HRH3
SCHEMBL5439520 0.86 MAPT (0.46) PTGDR2MAPTHRH3MKNK1MKNK2
SCHEMBL5438385 0.85 MAPK14 (0.45) PTGDR2MAPTSMN1; SMN2ALDH1A1HRH3
SCHEMBL5183183 0.85 MAPT (0.44) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL5430825 0.85 MTNR1A (0.42) PTGDR2MAPTALDH1A1KLKB1
SCHEMBL5439446 0.84 MAPT (0.44) PTGDR2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL5435775 0.84 L3MBTL1 (0.41) PTGDR2MAPTSMN1; SMN2HRH3KLKB1
SCHEMBL5194991 0.84 MAPT (0.46) PTGDR2MAPTHRH3MKNK1MKNK2
SCHEMBL5439478 0.83 MAPT (0.45) PTGDR2MAPTHRH3MKNK1MKNK2

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 8 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 claimed
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 claimed
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN claimed
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
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN 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 PTGDR2 85/4885MAPT 2615/4885GAA 4559/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 PTGDR2 78/4885MAPT 2062/4885GAA 4394/4885

“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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