SCHEMBL1328615

SCHEMBL1328615

CCc1cccc(CC)c1-c1cc(C)c(CN2CCc3ccccc3C2CC(C)C)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 10/20 0.38
OPRM1 P35372 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MTNR1B P49286 1/20 0.33
PRCP P42785 1/20 0.32
OPRK1 P41145 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 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
SCHEMBL1328093 0.91 C5AR1 (0.37) C5AR1OPRM1PRCPOPRK1DRD2
SCHEMBL1327523 0.91 C5AR1 (0.39) C5AR1OPRM1PRCPOPRK1DRD2
SCHEMBL1330541 0.90 C5AR1 (0.45) C5AR1
SCHEMBL1329867 0.89 C5AR1 (0.38) C5AR1OPRM1PRCPOPRK1DRD2
SCHEMBL1329772 0.89 C5AR1 (0.36) C5AR1OPRM1MEN1KMT2AMTNR1B
SCHEMBL1328024 0.89 C5AR1 (0.39) C5AR1OPRM1MEN1KMT2A
SCHEMBL1328387 0.89 C5AR1 (0.39) C5AR1OPRM1MEN1KMT2A
SCHEMBL1329132 0.87 C5AR1 (0.33) C5AR1OPRM1MEN1KMT2A
SCHEMBL1329621 0.87 C5AR1 (0.39) C5AR1OPRM1PRCPOPRK1
SCHEMBL1327123 0.87 C5AR1 (0.39) C5AR1OPRM1PRCPDRD2

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 C5AR1 2/4885OPRM1 674/4885MEN1 3563/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885OPRM1 674/4885MEN1 3563/4885

“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.