SCHEMBL5439478

SCHEMBL5439478

NCCCOc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MKNK1 Q9BUB5 4/20 0.39
▸ MKNK2 Q9HBH9 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PTGDR2 Q9Y5Y4 3/20 0.37
▸ KLKB1 P03952 1/20 0.35
▸ ICMT O60725 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33

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
SCHEMBL5194991 0.94 MAPT (0.46) MAPTHRH3MKNK1MKNK2L3MBTL1
SCHEMBL8264094 0.91 MAPT (0.47) MAPTHRH3MKNK1MKNK2L3MBTL1
SCHEMBL5439520 0.90 MAPT (0.46) MAPTHRH3MKNK1MKNK2L3MBTL1
SCHEMBL5439446 0.88 MAPT (0.44) MAPTHRH3MKNK1MKNK2L3MBTL1
SCHEMBL5438385 0.88 MAPK14 (0.45) MAPTHRH3PTGDR2CYP1A2CYP2C19
SCHEMBL5445008 0.86 MAPT (0.43) MAPTHRH3PTGDR2CYP1A2CYP2C19
SCHEMBL5184250 0.84 PTGDR2 (0.40) MAPTHRH3MKNK1MKNK2PTGDR2
SCHEMBL5184239 0.84 MAPT (0.39) MAPTHRH3MKNK1MKNK2PTGDR2
SCHEMBL5435775 0.84 L3MBTL1 (0.41) MAPTHRH3L3MBTL1PTGDR2KLKB1
SCHEMBL16275129 0.84 EPHX2 (0.48) HRH3HTR2ACYP1A2HRH2HRH1

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
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-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 MAPT 2615/4885HRH3 193/4885MKNK1 2293/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 MAPT 2062/4885HRH3 242/4885MKNK1 1868/4885

“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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