SCHEMBL1328110

SCHEMBL1328110

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C(=O)N(C)C)ccc2C)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.36
TTK P33981 1/20 0.35
NLRP3 Q96P20 1/20 0.35
BRD4 O60885 1/20 0.35
PTK2 Q05397 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
CYP2D6 P10635 2/20 0.33
MAPK14 Q16539 2/20 0.33
S1PR1 P21453 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL1329169 0.88 MEN1 (0.39) C5AR1SLC22A12RAB9AFFAR4
SCHEMBL1327921 0.88 C5AR1 (0.37) C5AR1BRD4PTK2SLC22A12MAPK14
SCHEMBL1328918 0.87 ALDH1A1 (0.40) C5AR1BRD4MAPK14LRRK2
SCHEMBL2142265 0.86 C5AR1 (0.41) C5AR1SLC22A12S1PR1FFAR4
SCHEMBL1327872 0.85 C5AR1 (0.39) C5AR1SLC22A12S1PR1RAB9AFFAR4
SCHEMBL1327126 0.84 MEN1 (0.43) C5AR1RAB9ALRRK2
SCHEMBL1328282 0.83 LRRK2 (0.45) C5AR1TTKRAB9AUSP2CYP3A4
SCHEMBL1327146 0.83 C5AR1 (0.42) C5AR1
SCHEMBL1327763 0.83 FFAR4 (0.41) C5AR1CYP2D6RAB9AUSP2CYP1A2
SCHEMBL1328960 0.82 LRRK2 (0.45) RAB9ALRRK2

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 2/4885TTK 3691/4885NLRP3 202/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885TTK 3691/4885NLRP3 202/4885

“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.