SCHEMBL5431527

SCHEMBL5431527

COc1cccc(OCc2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.47
▸ MAPT P10636 2/20 0.46
▸ APP P05067 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ HPD P32754 1/20 0.41
▸ DRD4 P21917 1/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ F2RL3 Q96RI0 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39

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
SCHEMBL5433218 0.88 MAPT (0.53) MAPTCA12CA9HPDTP53
SCHEMBL14892083 0.86 DRD2 (0.46) MAPTDRD4TP53
SCHEMBL5447834 0.82 MAPT (0.45) MAPTTP53SMN1; SMN2
SCHEMBL5437292 0.82 MAPT (0.47) MAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL5439546 0.79 MAPT (0.50) MAPTHPDPPARDTP53PPARG
SCHEMBL5197304 0.77 MAPT (0.49) MAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL5430779 0.77 MAPT (0.53) MAPTTP53KDM4EALDH1A1
SCHEMBL5197211 0.75 HRH3 (0.47) MAOBMAPTAPPDRD4TP53
SCHEMBL5184225 0.75 MAPT (0.55) MAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL14893078 0.75 MAPT (0.55) MAPTTP53ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-8399493-B2 Pyridinone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2013-03-19 — — 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
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 — — 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
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 MAOB 865/4885MAPT 2615/4885APP 1503/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAOB 1020/4885MAPT 2062/4885APP 1510/4885

“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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