SCHEMBL1328683

SCHEMBL1328683

CCCCN(Cc1ccccc1)Cc1c(OC)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.40
BCHE P06276 6/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 3/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1327485 0.97 BCHE (0.43) C5AR1BCHETP53MAPTSMN1; SMN2
SCHEMBL1329373 0.96 BCHE (0.45) C5AR1BCHEMAOAACHEMAOB
SCHEMBL1328817 0.96 BCHE (0.45) C5AR1BCHEMAOAACHEMAOB
SCHEMBL1328488 0.94 C5AR1 (0.41) C5AR1BCHEACHEL3MBTL1
SCHEMBL1328530 0.93 BCHE (0.45) C5AR1BCHEACHEL3MBTL1
SCHEMBL1327870 0.92 C5AR1 (0.44) C5AR1BCHEACHE
SCHEMBL1328529 0.91 L3MBTL1 (0.47) C5AR1BCHEL3MBTL1
SCHEMBL1328565 0.90 TSHR (0.44) C5AR1BCHEACHE
SCHEMBL1328442 0.89 C5AR1 (0.37) C5AR1BCHETP53MAPTSMN1; SMN2
SCHEMBL1328360 0.89 BCHE (0.48) BCHE

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 3774/4885TP53 3878/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885BCHE 3774/4885TP53 3878/4885

“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.