SCHEMBL1328782

SCHEMBL1328782

CCCN(Cc1c(Oc2ccc(C(N)=O)c(O)c2)cc(-c2c(CC)cccc2CC)nc1C)CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.34
SCN9A Q15858 4/20 0.34
C5AR1 P21730 11/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 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
SCHEMBL1330574 0.84 MAOB (0.38) SCN9A
SCHEMBL1329118 0.83 C5AR1 (0.36) SCN9AC5AR1
SCHEMBL1328007 0.81 PARP10 (0.37) SCN9AC5AR1
SCHEMBL2141521 0.80 CD38 (0.38) SCN9AC5AR1
SCHEMBL1328533 0.80 SCN9A (0.42) SCN9AC5AR1
SCHEMBL1327372 0.79 C5AR1 (0.35) C5AR1
SCHEMBL1327375 0.79 C5AR1 (0.35) C5AR1
SCHEMBL2141460 0.79 LMNA (0.34) SCN9AC5AR1
SCHEMBL1328716 0.79 C5AR1 (0.41) CRHR1C5AR1
SCHEMBL1327260 0.78 LMNA (0.34) SCN9AC5AR1

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 CRHR1 326/4885SCN9A 1307/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CRHR1 326/4885SCN9A 1307/4885C5AR1 2/4885

“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.