SCHEMBL1330182

SCHEMBL1330182

CCc1cccc(CC)c1-c1cc(OC)c(CN2CCc3ccccc3C2C2CCC2)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 18/20 0.49
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRCP P42785 1/20 0.39

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
SCHEMBL1327400 0.97 C5AR1 (0.48) C5AR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1327653 0.91 C5AR1 (0.41) C5AR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1328102 0.90 PRCP (0.41) C5AR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1330001 0.87 C5AR1 (0.41) C5AR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1327692 0.87 C5AR1 (0.48) C5AR1
SCHEMBL1328237 0.86 C5AR1 (0.47) C5AR1
SCHEMBL1327440 0.86 C5AR1 (0.39) C5AR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1328880 0.84 C5AR1 (0.46) C5AR1
SCHEMBL1328849 0.84 C5AR1 (0.46) C5AR1
SCHEMBL1327795 0.84 C5AR1 (0.46) C5AR1CYP1A2CYP2D6CYP2C9CYP2C19

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 2/4885CYP1A2 905/4885CYP2D6 692/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885CYP1A2 905/4885CYP2D6 692/4885

“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.