SCHEMBL1329591

SCHEMBL1329591

CCCCCCCN(CCc1ccccc1)Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
OPRM1 P35372 3/20 0.44
DRD3 P35462 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
BCHE P06276 11/20 0.42
KCNH2 Q12809 2/20 0.37
C5AR1 P21730 1/20 0.37

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
SCHEMBL1327854 1.00 DRD2 (0.44) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1329440 0.99 DRD2 (0.43) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1329357 0.96 DRD2 (0.42) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1328728 0.93 BCHE (0.37) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1328602 0.93 BCHE (0.37) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1328811 0.93 BCHE (0.42) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1328883 0.93 C5AR1 (0.37) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1328443 0.92 C5AR1 (0.37) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL1328697 0.92 C5AR1 (0.38) BCHEC5AR1
SCHEMBL1329436 0.90 BCHE (0.50) DRD2OPRM1DRD3OPRD1OPRK1

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 DRD2 879/4885OPRM1 674/4885DRD3 878/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 DRD2 879/4885OPRM1 674/4885DRD3 878/4885

“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.