SCHEMBL1328637

SCHEMBL1328637

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.41
ACHE P22303 13/20 0.38
BCHE P06276 10/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL1328730 0.92 ACHE (0.42) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1328155 0.88 C5AR1 (0.39) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1328451 0.88 BCHE (0.42) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1328288 0.87 C5AR1 (0.42) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1328536 0.86 C5AR1 (0.40) C5AR1ACHEBCHEL3MBTL1ALDH1A1
SCHEMBL1327027 0.86 C5AR1 (0.41) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1327563 0.85 C5AR1 (0.37) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1328511 0.84 C5AR1 (0.45) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1328543 0.84 HTT (0.47) C5AR1ACHEBCHEL3MBTL1HTT
SCHEMBL1328598 0.84 C5AR1 (0.37) C5AR1ACHEBCHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

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

“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.