SCHEMBL1328488

SCHEMBL1328488

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 4/20 0.41
BCHE P06276 6/20 0.41
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 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
SCHEMBL1328683 0.94 C5AR1 (0.40) C5AR1BCHEACHEL3MBTL1
SCHEMBL1327870 0.94 C5AR1 (0.44) C5AR1BCHEACHECD274
SCHEMBL1327485 0.93 BCHE (0.43) C5AR1BCHEACHEL3MBTL1
SCHEMBL1328529 0.93 L3MBTL1 (0.47) C5AR1BCHEL3MBTL1
SCHEMBL1329373 0.92 BCHE (0.45) C5AR1BCHEACHE
SCHEMBL1328817 0.92 BCHE (0.45) C5AR1BCHEACHE
SCHEMBL1328565 0.92 TSHR (0.44) C5AR1BCHEACHECD274KDM4E
SCHEMBL1328530 0.91 BCHE (0.45) C5AR1BCHEACHEL3MBTL1
SCHEMBL1328535 0.90 C5AR1 (0.39) C5AR1BCHEACHEL3MBTL1KDM4E
SCHEMBL1329971 0.89 L3MBTL1 (0.47) C5AR1BCHEACHEL3MBTL1ALDH1A1

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.