SCHEMBL5449024

SCHEMBL5449024

COc1ccc(-c2ccc(=O)n(CCCc3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.54
▸ PTGDR2 Q9Y5Y4 2/20 0.52
▸ OPRM1 P35372 1/20 0.47
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ASAH1 Q13510 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL5439934 0.96 SIGMAR1 (0.50) SIGMAR1PTGDR2OPRM1PDE4APDE4B
SCHEMBL5445050 0.83 HRH3 (0.55) SIGMAR1PTGDR2HRH3KMT2AKDM4E
SCHEMBL5437516 0.82 TLR8 (0.49) PTGDR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5434732 0.81 TLR8 (0.54) PDE4B
SCHEMBL31550480 0.80 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1MAPT
SCHEMBL5184776 0.80 RAB9A (0.51) PTGDR2HRH3POLBMAPT
SCHEMBL5439611 0.79 GSK3A (0.47) SIGMAR1HRH3KDM4EALDH1A1
SCHEMBL5442735 0.77 PTGDR2 (0.45) PTGDR2ALDH1A1
SCHEMBL5440660 0.77 MAOB (0.41) PTGDR2HRH3MEN1KMT2AKDM4E
SCHEMBL3175657 0.77 PTGDR2 (0.73) SIGMAR1PTGDR2

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 SIGMAR1 239/4885PTGDR2 85/4885OPRM1 199/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 SIGMAR1 554/4885PTGDR2 78/4885OPRM1 287/4885

“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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