SCHEMBL5444746

SCHEMBL5444746

O=c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 5/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.49
▸ CHRM5 P08912 2/20 0.48
▸ MKNK1 Q9BUB5 2/20 0.47
▸ MKNK2 Q9HBH9 2/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ SDHB P21912 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ BCHE P06276 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ BACE1 P56817 2/20 0.44
▸ SCN5A Q14524 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43

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
SCHEMBL5445058 0.87 SDHB (0.54) SERPINE1CHRM5GRM2SDHBHCRTR1
SCHEMBL5445259 0.82 MKNK1 (0.58) SERPINE1HRH3MKNK1MKNK2CREBBP
SCHEMBL5445050 0.82 HRH3 (0.55) HRH3MKNK1MKNK2CREBBPCHRM1
SCHEMBL5435554 0.80 PTGDR2 (0.54) SERPINE1HRH3MKNK1MKNK2CREBBP
SCHEMBL5439606 0.79 CREBBP (0.56) HRH3MKNK1MKNK2CREBBPSDHB
SCHEMBL5431537 0.78 HRH3 (0.63) HRH3MKNK1MKNK2CREBBPSDHB
SCHEMBL5438403 0.78 MKNK1 (0.54) HRH3MKNK1MKNK2CREBBPSDHB
SCHEMBL5437566 0.77 BRD4 (0.59) HRH3MKNK1MKNK2CREBBPSDHB
SCHEMBL5439773 0.77 CREBBP (0.53) HRH3MKNK1MKNK2CREBBPSDHB
SCHEMBL5448908 0.76 HRH3 (0.55) HRH3MKNK1MKNK2CREBBPSDHB

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 6 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
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
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 SERPINE1 3438/4885HRH3 193/4885CHRM5 69/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SERPINE1 3892/4885HRH3 242/4885CHRM5 128/4885

“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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