SCHEMBL5431537

SCHEMBL5431537

CCCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.63
▸ CREBBP Q92793 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ BRD4 O60885 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MKNK1 Q9BUB5 3/20 0.47
▸ MKNK2 Q9HBH9 3/20 0.47
▸ SDHB P21912 1/20 0.46
▸ BRD2 P25440 1/20 0.45
▸ BRD3 Q15059 1/20 0.45
▸ BRDT Q58F21 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 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
SCHEMBL5445050 0.85 HRH3 (0.55) HRH3CREBBPBRD4LMNAMKNK1
SCHEMBL5448908 0.84 HRH3 (0.55) HRH3CREBBPBRD4MKNK1MKNK2
SCHEMBL5445259 0.82 MKNK1 (0.58) HRH3CREBBPBRD4MKNK1MKNK2
SCHEMBL5439606 0.81 CREBBP (0.56) HRH3CREBBPSMN1; SMN2BRD4LMNA
SCHEMBL5437566 0.80 BRD4 (0.59) HRH3CREBBPBRD4LMNAMKNK1
SCHEMBL5441396 0.78 GRM2 (0.49) HRH3LMNASDHBMAPTTP53
SCHEMBL5444746 0.78 SERPINE1 (0.55) HRH3CREBBPBRD4MKNK1MKNK2
SCHEMBL5438403 0.78 MKNK1 (0.54) HRH3CREBBPSMN1; SMN2BRD4MKNK1
SCHEMBL5435554 0.77 PTGDR2 (0.54) HRH3CREBBPBRD4MKNK1MKNK2
SCHEMBL5445065 0.77 SDHB (0.54) HRH3SMN1; SMN2LMNASDHBMAPT

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 HRH3 193/4885CREBBP 2672/4885SMN1; SMN2 1523/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 HRH3 242/4885CREBBP 2331/4885SMN1; SMN2 1675/4885

“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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