SCHEMBL1328682

SCHEMBL1328682

CCc1cccc(CC)c1-c1cc(CN2CCOCC2)c(COc2cc(C(C)C)ccc2C)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.45
ACHE P22303 6/20 0.45
C5AR1 P21730 1/20 0.43
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.41
KCNH2 Q12809 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2A13 Q16696 1/20 0.36

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
SCHEMBL1328543 0.92 HTT (0.47) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1328511 0.92 C5AR1 (0.45) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1328815 0.91 HTT (0.46) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1329021 0.91 BCHE (0.44) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1328450 0.90 BCHE (0.46) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1329162 0.90 C5AR1 (0.43) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1329078 0.89 C5AR1 (0.42) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1330181 0.88 C5AR1 (0.42) BCHEACHEC5AR1HTTSMN1; SMN2
SCHEMBL1328634 0.88 C5AR1 (0.45) BCHEACHEC5AR1HTTRECQL
SCHEMBL1328406 0.88 C5AR1 (0.41) BCHEACHEC5AR1HTTSMN1; SMN2

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 BCHE 3774/4885ACHE 2578/4885C5AR1 2/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 BCHE 3774/4885ACHE 2578/4885C5AR1 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.