SCHEMBL1328634

SCHEMBL1328634

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
BCHE P06276 6/20 0.45
ACHE P22303 6/20 0.45
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KCNH2 Q12809 3/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2A13 Q16696 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL1328625 0.92 BCHE (0.42) C5AR1BCHEACHEHTTRECQL
SCHEMBL1328682 0.88 BCHE (0.45) C5AR1BCHEACHEHTTRECQL
SCHEMBL2139611 0.83 SMN1; SMN2 (0.49) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328450 0.82 BCHE (0.46) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1327218 0.82 BCHE (0.44) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328511 0.80 C5AR1 (0.45) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328543 0.80 HTT (0.47) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1328815 0.79 HTT (0.46) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1329021 0.79 BCHE (0.44) C5AR1BCHEACHEHTTSMN1; SMN2
SCHEMBL1329162 0.78 C5AR1 (0.43) C5AR1BCHEACHEHTTSMN1; 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 C5AR1 2/4885BCHE 3774/4885ACHE 2578/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885BCHE 3774/4885ACHE 2578/4885

“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.