SCHEMBL5448908

SCHEMBL5448908

CC(C)COc1ccc(-c2ccc(=O)n(Cc3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.55
▸ BRD4 O60885 2/20 0.47
▸ MKNK1 Q9BUB5 3/20 0.46
▸ MKNK2 Q9HBH9 3/20 0.46
▸ CREBBP Q92793 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 3/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ BRDT Q58F21 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ MDM2 Q00987 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.41
▸ SDHB P21912 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL5431537 0.84 HRH3 (0.63) HRH3BRD4MKNK1MKNK2CREBBP
SCHEMBL5445050 0.82 HRH3 (0.55) HRH3BRD4MKNK1MKNK2CREBBP
SCHEMBL5445259 0.80 MKNK1 (0.58) HRH3BRD4MKNK1MKNK2CREBBP
SCHEMBL5437566 0.78 BRD4 (0.59) HRH3BRD4MKNK1MKNK2CREBBP
SCHEMBL5437171 0.77 MAPT (0.44) HRH3MKNK1MKNK2MAPTPTGDR2
SCHEMBL5439606 0.76 CREBBP (0.56) HRH3BRD4MKNK1MKNK2CREBBP
SCHEMBL5444746 0.76 SERPINE1 (0.55) HRH3BRD4MKNK1MKNK2CREBBP
SCHEMBL5438403 0.76 MKNK1 (0.54) HRH3BRD4MKNK1MKNK2CREBBP
SCHEMBL14672093 0.75 MAPT (0.57) MEN1KMT2AMAPTALOX12MDM2
SCHEMBL5435554 0.75 PTGDR2 (0.54) HRH3BRD4MKNK1MKNK2CREBBP

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 193/4885BRD4 1456/4885MKNK1 2293/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 HRH3 242/4885BRD4 1140/4885MKNK1 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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