SCHEMBL1329888

SCHEMBL1329888

CCc1cccc(CC)c1-c1cc(OC)c(CN(CCc2ccccc2)CC2CCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.44
OPRK1 P41145 12/20 0.44
OPRD1 P41143 7/20 0.44
BCHE P06276 7/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
C5AR1 P21730 1/20 0.41

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
SCHEMBL1329377 0.99 OPRM1 (0.45) OPRM1OPRK1OPRD1BCHEDRD2
SCHEMBL1329565 0.99 OPRM1 (0.45) OPRM1OPRK1OPRD1BCHEDRD2
SCHEMBL1328688 0.98 OPRM1 (0.46) OPRM1OPRK1OPRD1BCHEDRD2
SCHEMBL1329417 0.92 C5AR1 (0.43) C5AR1
SCHEMBL1328127 0.91 BCHE (0.43) OPRM1OPRK1OPRD1BCHEC5AR1
SCHEMBL1329333 0.91 C5AR1 (0.42) C5AR1
SCHEMBL1328695 0.86 BCHE (0.49) BCHE
SCHEMBL1328016 0.85 C5AR1 (0.41) BCHEC5AR1
SCHEMBL2142640 0.84 OPRM1 (0.45) OPRM1OPRK1OPRD1DRD2DRD3
SCHEMBL1328269 0.84 BCHE (0.47) BCHE

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 OPRM1 674/4885OPRK1 475/4885OPRD1 506/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 OPRM1 674/4885OPRK1 475/4885OPRD1 506/4885

“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.