SCHEMBL1328126

SCHEMBL1328126

CCc1cccc(CC)c1-c1cc(CN2CCC(C(=O)O)CC2)c(COc2cc(C(C)C)ccc2C)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.42
C5AR1 P21730 1/20 0.40
S1PR1 P21453 7/20 0.39
PDCD1 Q15116 1/20 0.38
BCHE P06276 5/20 0.37
ACHE P22303 5/20 0.37
S1PR5 Q9H228 2/20 0.37
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1327114 0.92 S1PR1 (0.42) C5AR1S1PR1BCHEACHES1PR5
SCHEMBL1330181 0.91 C5AR1 (0.42) CD274C5AR1PDCD1BCHEACHE
SCHEMBL2140455 0.90 C5AR1 (0.41) CD274C5AR1BCHEACHEALDH1A1
SCHEMBL1327158 0.89 C5AR1 (0.41) C5AR1BCHEACHEALDH1A1
SCHEMBL1328543 0.89 HTT (0.47) CD274C5AR1BCHEACHEALDH1A1
SCHEMBL1328511 0.89 C5AR1 (0.45) CD274C5AR1BCHEACHEALDH1A1
SCHEMBL1328815 0.88 HTT (0.46) CD274C5AR1BCHEACHEALDH1A1
SCHEMBL1327541 0.88 C5AR1 (0.40) C5AR1S1PR1BCHEACHES1PR5
SCHEMBL1328974 0.87 C5AR1 (0.41) CD274C5AR1BCHEACHEALDH1A1
SCHEMBL1329021 0.87 BCHE (0.44) C5AR1BCHEACHEALDH1A1

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 CD274 1147/4885C5AR1 2/4885S1PR1 220/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CD274 1147/4885C5AR1 2/4885S1PR1 220/4885

“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.