SCHEMBL1330386

SCHEMBL1330386

CCc1cccc(CC)c1-c1cc(CN2CCOCC2)c(CN2CCc3ccccc3C2CC(C)C)c(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.34
MOK Q9UQ07 3/20 0.34
C5AR1 P21730 5/20 0.33
OPRM1 P35372 1/20 0.33
MAPK1 P28482 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3C2B O00750 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KCNH2 Q12809 1/20 0.31
SOS1 Q07889 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1329772 0.93 C5AR1 (0.36) C5AR1OPRM1MEN1KMT2AKDM4E
SCHEMBL1329132 0.91 C5AR1 (0.33) C5AR1OPRM1MEN1KMT2A
SCHEMBL1329369 0.90 ALDH1A1 (0.33) C5AR1OPRM1MEN1KMT2AKDM4E
SCHEMBL2140644 0.89 OPRM1 (0.36) OPRM1MAPK1MEN1KMT2AALDH1A1
SCHEMBL1328615 0.87 C5AR1 (0.38) C5AR1OPRM1MEN1KMT2AKDM4E
SCHEMBL1328550 0.85 C5AR1 (0.38) C5AR1PRMT5WDR77MEN1KMT2A
SCHEMBL1330541 0.84 C5AR1 (0.45) C5AR1
SCHEMBL1329103 0.83 C5AR1 (0.33) C5AR1OPRM1MEN1KMT2A
SCHEMBL2142672 0.83 C5AR1 (0.34) C5AR1OPRM1MEN1KMT2A
SCHEMBL1328024 0.83 C5AR1 (0.39) C5AR1OPRM1PRMT5WDR77MEN1

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 CYP2A13 1143/4885MOK 3337/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CYP2A13 1143/4885MOK 3337/4885C5AR1 2/4885

“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.