SCHEMBL5437516

SCHEMBL5437516

CCCCn1cc(-c2ccc(OC)cc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.49
▸ BRD4 O60885 1/20 0.42
▸ GRM2 Q14416 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CNR2 P34972 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL5434732 0.95 TLR8 (0.54) TLR8BRD4GRM2BACE1CNR2
SCHEMBL14410409 0.84 CREBBP (0.46) BRD4GRM2BACE1RAB9AALDH1A1
SCHEMBL5442735 0.83 PTGDR2 (0.45) TLR8BRD4BACE1ALDH1A1PDE5A
SCHEMBL5440660 0.83 MAOB (0.41) TLR8BRD4BACE1NPC1RAB9A
SCHEMBL5449024 0.82 SIGMAR1 (0.54) ALDH1A1PTGDR2KDM4EMEN1MAPT
SCHEMBL5439934 0.81 SIGMAR1 (0.50) PTGDR2MEN1KMT2ATDP1
SCHEMBL5450906 0.81 BRD4 (0.41) BRD4GRM2BACE1ALDH1A1PDE5A
SCHEMBL5435873 0.81 GRM2 (0.52) BRD4GRM2BACE1ALDH1A1PDE5A
SCHEMBL5445065 0.78 SDHB (0.54) GRM2NPC1RAB9AALDH1A1PDE5A
SCHEMBL5184776 0.77 RAB9A (0.51) BRD4NPC1RAB9APTGDR2MAPT

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 TLR8 1179/4885BRD4 1456/4885GRM2 1/4885
US-20130109652-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRIA2 TLR8 1052/4885BRD4 1140/4885GRM2 1/4885

“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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