SCHEMBL1329423

SCHEMBL1329423

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccc(C(F)(F)F)cc2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.39
PPARD Q03181 9/20 0.37
OPRL1 P41146 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
MAOB P27338 2/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
CRHR1 P34998 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL1329490 0.92 C5AR1 (0.38) C5AR1PPARDMRGPRX4MAOB
SCHEMBL1327833 0.91 C5AR1 (0.39) C5AR1
SCHEMBL1328212 0.89 C5AR1 (0.38) C5AR1
SCHEMBL1327759 0.89 C5AR1 (0.47) C5AR1PPARDMRGPRX4MAOBPPARG
SCHEMBL1328029 0.89 C5AR1 (0.39) C5AR1MRGPRX4
SCHEMBL2140563 0.88 MRGPRX4 (0.52) MRGPRX4
SCHEMBL1330106 0.87 C5AR1 (0.42) C5AR1PPARG
SCHEMBL1329981 0.87 C5AR1 (0.40) C5AR1
SCHEMBL1327645 0.87 C5AR1 (0.35) C5AR1
SCHEMBL1329165 0.86 PTGDR2 (0.37) C5AR1PPARGPPARA

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 C5AR1 2/4885PPARD 1522/4885OPRL1 167/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885PPARD 1522/4885OPRL1 167/4885

“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.