SCHEMBL2139249

SCHEMBL2139249

CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(Cc2ccccc2)C2CC2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 18/20 0.44
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
YTHDC1 Q96MU7 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
SCHEMBL2137248 0.96 C5AR1 (0.45) C5AR1
SCHEMBL2142061 0.95 C5AR1 (0.44) C5AR1
SCHEMBL1327825 0.92 C5AR1 (0.41) C5AR1
SCHEMBL1328952 0.90 DRD2 (0.42) C5AR1
SCHEMBL2138276 0.89 C5AR1 (0.46) C5AR1
SCHEMBL1329291 0.86 C5AR1 (0.42) C5AR1
SCHEMBL1329675 0.86 C5AR1 (0.40) C5AR1
SCHEMBL2139076 0.86 C5AR1 (0.45) C5AR1
SCHEMBL1328249 0.86 C5AR1 (0.47) C5AR1
SCHEMBL1329045 0.85 C5AR1 (0.40) C5AR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885DPP4 2464/4885DPP8 2927/4885

“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.