SCHEMBL14410409

SCHEMBL14410409

CCn1cc(-c2ccc(OC)cc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SDHB P21912 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ BMPR1B O00238 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
SCHEMBL5437516 0.84 TLR8 (0.49) BRD4ALDH1A1KDM4ERAB9APDE5A
SCHEMBL5445065 0.83 SDHB (0.54) ALDH1A1KDM4ERAB9ASDHBPDE5A
SCHEMBL5434732 0.83 TLR8 (0.54) BRD4RAB9ABACE1ALDH1A3GRM2
SCHEMBL5439529 0.82 BMPR1B (0.44) BRD4ALDH1A1KDM4EHPGDSDHB
SCHEMBL5436962 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDPTGDR2TP53
SCHEMBL14410448 0.80 LTA4H (0.49) ALDH1A1PDE10AKDM4EHPGDTSHR
SCHEMBL5435873 0.80 GRM2 (0.52) BRD4ALDH1A1KDM4EHPGDTSHR
SCHEMBL5450906 0.80 BRD4 (0.41) BRD4ALDH1A1KDM4ESDHBPDE5A
SCHEMBL5436952 0.80 PDE10A (0.48) PDE10ARAB9AGRM2BMPR1AACVRL1
SCHEMBL5445050 0.80 HRH3 (0.55) CREBBPBRD4ALDH1A1KDM4ERAB9A

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
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 CREBBP 2672/4885GFER 1478/4885BRD4 1456/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 CREBBP 2331/4885GFER 1817/4885BRD4 1140/4885

“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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