SCHEMBL5439611

SCHEMBL5439611

COc1ccc(-c2ccc(=O)n(CCc3ccc(F)cc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ RIPK3 Q9Y572 1/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ RGS4 P49798 1/20 0.43
▸ RGS8 P57771 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL5430703 0.86 CNR1 (0.52) RGS4RGS8ALDH1A1CNR1CNR2
SCHEMBL16474464 0.82 DRD2 (0.44) GSK3BSIGMAR1PTGS2ALDH1A1
SCHEMBL5449024 0.79 SIGMAR1 (0.54) SIGMAR1HRH3ALDH1A1KDM4E
SCHEMBL5445065 0.79 SDHB (0.54) GSK3AGSK3BSIGMAR1HRH3MAOB
SCHEMBL5439934 0.78 SIGMAR1 (0.50) SIGMAR1HRH3
SCHEMBL5437499 0.77 PLA2G7 (0.54) ALDH1A1CNR1CNR2
SCHEMBL5437516 0.76 TLR8 (0.49) ALDH1A1CNR1CNR2KDM4E
SCHEMBL5443008 0.75 SDHB (0.49) CNR1CNR2
SCHEMBL14410409 0.75 CREBBP (0.46) ALDH1A1KDM4E
SCHEMBL5435873 0.75 GRM2 (0.52) ALDH1A1KDM4E

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 GSK3A 1471/4885GSK3B 1323/4885SIGMAR1 239/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 GSK3A 1694/4885GSK3B 1493/4885SIGMAR1 554/4885

“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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