SCHEMBL5439772

SCHEMBL5439772

CC(=O)NCc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ PTGDR2 Q9Y5Y4 4/20 0.41
▸ KLKB1 P03952 2/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ BDKRB1 P46663 1/20 0.39
▸ MPO P05164 1/20 0.38
▸ TPO P07202 1/20 0.38

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
SCHEMBL5430785 0.91 MAPT (0.44) MAPTPTGDR2KLKB1HTR2CHTR2B
SCHEMBL5183839 0.90 MAPT (0.43) MAPTPTGDR2KLKB1BDKRB1
SCHEMBL5430731 0.85 MAPT (0.45) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5435836 0.83 MAPT (0.50) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5437502 0.83 MAPT (0.44) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5430825 0.83 MTNR1A (0.42) MAPTPTGDR2KLKB1ALDH1A1
SCHEMBL27690836 0.83 MAPT (0.45) MAPTPTGDR2ALDH1A1GAASMN1; SMN2
SCHEMBL5435775 0.82 L3MBTL1 (0.41) MAPTPTGDR2KLKB1SMN1; SMN2
SCHEMBL5439419 0.81 MAPT (0.44) MAPTPTGDR2HTR2CHTR2BALDH1A1
SCHEMBL5437175 0.81 MAPT (0.50) MAPTPTGDR2

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 9 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
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 — — 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 MAPT 2615/4885PTGDR2 85/4885KLKB1 4191/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885PTGDR2 78/4885KLKB1 4319/4885

“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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