SCHEMBL1329304

SCHEMBL1329304

CCCCCC(c1ccccc1)N(C)Cc1cnc(-c2c(CC)cccc2CC)c(C)c1OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.33
BCHE P06276 2/20 0.32
CRHR1 P34998 4/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL1329421 0.99 BCHE (0.34) SLC6A5BCHECRHR1SLC6A2SLC6A4
SCHEMBL1328616 0.97 SLC6A5 (0.33) SLC6A5BCHECRHR1SLC6A2SLC6A4
SCHEMBL1329313 0.93 SLC6A2 (0.32) SLC6A5CRHR1SLC6A2SLC6A4SLC6A3
SCHEMBL1328799 0.89 CYP2C9 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL1328017 0.87 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL1328617 0.82 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL1329192 0.81 CRHR1 (0.34) SLC6A5CRHR1
SCHEMBL1329571 0.80 C5AR1 (0.37) SLC6A5BCHECRHR1SLC6A2SLC6A4
SCHEMBL1329668 0.80 BCHE (0.46) BCHE
SCHEMBL1327138 0.79 C5AR1 (0.37) SLC6A5BCHECRHR1SLC6A2SLC6A4

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 SLC6A5 4622/4885BCHE 3774/4885CRHR1 326/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 SLC6A5 4622/4885BCHE 3774/4885CRHR1 326/4885

“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.