SCHEMBL1329326

SCHEMBL1329326

CCc1cccc(CC)c1-c1cc(OC2CCCC2)c(CN2C[C@@H](C)O[C@H](C)C2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 14/20 0.42
CYP2A13 Q16696 1/20 0.39
S1PR5 Q9H228 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
PDE4D Q08499 3/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 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
SCHEMBL1329322 1.00 C5AR1 (0.42) C5AR1CYP2A13S1PR5KDM4EHTT
SCHEMBL1327809 0.92 C5AR1 (0.39) C5AR1CYP2A13KDM4EHTT
SCHEMBL1327281 0.92 C5AR1 (0.40) C5AR1CYP2A13S1PR5
SCHEMBL1329225 0.89 CYP2A13 (0.38) C5AR1CYP2A13S1PR5KDM4EHTT
SCHEMBL1328965 0.89 CNR2 (0.37) C5AR1CYP2A13KDM4EHTT
SCHEMBL2138632 0.86 CYP2A13 (0.42) C5AR1CYP2A13KDM4EHTT
SCHEMBL1327167 0.85 CYP2A13 (0.41) C5AR1CYP2A13KDM4EHTT
SCHEMBL1329264 0.84 C5AR1 (0.36) C5AR1S1PR5
SCHEMBL1328774 0.83 CYP2A13 (0.46) C5AR1CYP2A13KDM4EHTT
SCHEMBL1328538 0.82 DRD2 (0.43) C5AR1S1PR5

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 2/4885CYP2A13 1143/4885S1PR5 224/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885CYP2A13 1143/4885S1PR5 224/4885

“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.