SCHEMBL14902860

SCHEMBL14902860

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MKNK1 Q9BUB5 2/20 0.36
▸ MKNK2 Q9HBH9 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL5430825 0.92 MTNR1A (0.42) KLKB1MAPTPTGDR2LMNANPC1
SCHEMBL5435775 0.89 L3MBTL1 (0.41) KLKB1MAPTPTGDR2HRH3SMN1; SMN2
SCHEMBL5433959 0.89 KLKB1 (0.42) KLKB1MAPTPTGDR2HRH3MKNK1
SCHEMBL5184233 0.86 KLKB1 (0.39) KLKB1MAPTPTGDR2HRH3GAA
SCHEMBL5183960 0.86 CA12 (0.43) KLKB1MAPT
SCHEMBL5439520 0.85 MAPT (0.46) MAPTPTGDR2HRH3MKNK1MKNK2
SCHEMBL5449004 0.84 MAPT (0.40) KLKB1MAPTPTGDR2HRH3MKNK1
SCHEMBL5439446 0.83 MAPT (0.44) KLKB1MAPTPTGDR2HRH3MKNK1
SCHEMBL5184239 0.83 MAPT (0.39) KLKB1MAPTPTGDR2HRH3MKNK1
SCHEMBL5194991 0.83 MAPT (0.46) KLKB1MAPTPTGDR2HRH3MKNK1

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 2 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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 KLKB1 4319/4885MAPT 2062/4885PTGDR2 78/4885

“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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