SCHEMBL1328677

SCHEMBL1328677

CCc1ccc(C)nc1OCc1c(OC2CCN(CC)C2)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
ADORA2A P29274 1/20 0.36
C5AR1 P21730 10/20 0.33
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CB P42338 1/20 0.32
CACNA2D1 P54289 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
SCHEMBL2138304 0.84 C5AR1 (0.35) C5AR1
SCHEMBL1331018 0.82 C5AR1 (0.41) CNR2CNR1ADORA2AC5AR1
SCHEMBL1328965 0.79 CNR2 (0.37) CNR2CNR1ADORA2AC5AR1SCN1A
SCHEMBL1327043 0.77 C5AR1 (0.38) C5AR1
SCHEMBL1328014 0.77 HTR1A (0.39) CACNA2D1
SCHEMBL1328727 0.75 C5AR1 (0.43) C5AR1
SCHEMBL1329066 0.73 GRM5 (0.38) C5AR1
SCHEMBL1329326 0.68 C5AR1 (0.42) C5AR1
SCHEMBL1329322 0.68 C5AR1 (0.42) C5AR1
SCHEMBL1329264 0.67 C5AR1 (0.36) C5AR1PIK3CB

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 2 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-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 (1 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 CNR2 114/4885CNR1 65/4885ADORA2A 54/4885

“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.