SCHEMBL1328817

SCHEMBL1328817

CCCCCCCN(Cc1ccccc1)Cc1c(OC)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.45
MAOA P21397 3/20 0.40
MAOB P27338 2/20 0.40
ACHE P22303 2/20 0.40
C5AR1 P21730 2/20 0.39
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL1329373 1.00 BCHE (0.45) BCHEMAOAMAOBACHEC5AR1
SCHEMBL1327485 0.99 BCHE (0.43) BCHEMAOAMAOBACHEC5AR1
SCHEMBL1328683 0.96 C5AR1 (0.40) BCHEMAOAMAOBACHEC5AR1
SCHEMBL1329218 0.93 BCHE (0.50) BCHEACHEDRD2OPRM1DRD3
SCHEMBL1329436 0.93 BCHE (0.50) BCHEACHEDRD2OPRM1DRD3
SCHEMBL1328488 0.92 C5AR1 (0.41) BCHEACHEC5AR1
SCHEMBL1328106 0.92 BCHE (0.42) BCHEACHEC5AR1
SCHEMBL1328360 0.91 BCHE (0.48) BCHEDRD2OPRM1DRD3OPRD1
SCHEMBL1328530 0.91 BCHE (0.45) BCHEACHEC5AR1
SCHEMBL1327431 0.91 BCHE (0.41) BCHEC5AR1

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 BCHE 3774/4885MAOA 498/4885MAOB 588/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 BCHE 3774/4885MAOA 498/4885MAOB 588/4885

“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.