SCHEMBL1327043

SCHEMBL1327043

CCc1ccc(C)nc1OCc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.38
PPARG P37231 1/20 0.33
S1PR1 P21453 7/20 0.32
GRM5 P41594 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL1327710 0.88 S1PR1 (0.39) C5AR1S1PR1CYP2D6
SCHEMBL1327730 0.85 C5AR1 (0.42) C5AR1
SCHEMBL1330106 0.85 C5AR1 (0.42) C5AR1PPARG
SCHEMBL1328471 0.84 C5AR1 (0.39) C5AR1
SCHEMBL1329900 0.83 C5AR1 (0.41) C5AR1
SCHEMBL1327763 0.83 FFAR4 (0.41) C5AR1CYP2D6
SCHEMBL1327672 0.83 C5AR1 (0.39) C5AR1PPARG
SCHEMBL1329407 0.82 C5AR1 (0.38) C5AR1CYP2D6
SCHEMBL1329981 0.82 C5AR1 (0.40) C5AR1
SCHEMBL1327238 0.82 C5AR1 (0.40) C5AR1PPARG

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-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 C5AR1 2/4885PPARG 1440/4885S1PR1 220/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885PPARG 1440/4885S1PR1 220/4885

“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.