SCHEMBL1328043

SCHEMBL1328043

CCCc1ccc(OCc2cnc(-c3c(CC)cccc3CC)cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
FFAR4 Q5NUL3 1/20 0.37
MAOB P27338 1/20 0.37
C5AR1 P21730 3/20 0.37
BCHE P06276 2/20 0.36
CSF1R P07333 1/20 0.36
NTRK2 Q16620 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL1328280 0.93 FFAR1 (0.41) FFAR1BCHE
SCHEMBL1328968 0.90 ABCB1 (0.45) C5AR1BCHE
SCHEMBL1327581 0.88 MAPT (0.41) C5AR1
SCHEMBL1328271 0.88 NPC1 (0.47) FFAR4
SCHEMBL1327580 0.88 L3MBTL1 (0.41) FFAR1BCHE
SCHEMBL1329080 0.87 C5AR1 (0.41) MAOBC5AR1BCHE
SCHEMBL1330153 0.85 C5AR1 (0.39) FFAR1C5AR1
SCHEMBL1328720 0.84 MAPT (0.42) C5AR1
SCHEMBL1330224 0.84 ABCB1 (0.44) C5AR1
SCHEMBL1329593 0.83 FOXM1 (0.44) FFAR1FFAR4MAOBC5AR1PDE4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 FFAR1 108/4885FFAR4 138/4885MAOB 588/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 FFAR1 108/4885FFAR4 138/4885MAOB 588/4885

“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.