SCHEMBL1329337

SCHEMBL1329337

CCc1cccc(CC)c1-c1cc(OC)c(CN(Cc2ccccc2)Cc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
C5AR1 P21730 1/20 0.41
BCHE P06276 12/20 0.41
ACHE P22303 2/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
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
SCHEMBL1329472 0.93 BCHE (0.47) TSHRKDM4EALDH1A1BCHE
SCHEMBL1328695 0.92 BCHE (0.49) TSHRKDM4EALDH1A1BCHEL3MBTL1
SCHEMBL1329115 0.91 KDM4E (0.40) TSHRKDM4EALDH1A1C5AR1BCHE
SCHEMBL1329574 0.91 BCHE (0.45) TSHRKDM4EALDH1A1BCHEACHE
SCHEMBL1328013 0.91 BCHE (0.46) TSHRKDM4EALDH1A1C5AR1BCHE
SCHEMBL1329875 0.90 BCHE (0.52) BCHEACHE
SCHEMBL1327938 0.90 BCHE (0.49) TSHRKDM4EALDH1A1BCHEACHE
SCHEMBL1329097 0.90 BCHE (0.43) TSHRKDM4EALDH1A1C5AR1BCHE
SCHEMBL1327930 0.90 BCHE (0.51) TSHRKDM4EALDH1A1BCHEACHE
SCHEMBL1328081 0.90 BCHE (0.51) TSHRKDM4EALDH1A1BCHEACHE

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 TSHR 231/4885KDM4E 2088/4885ALDH1A1 1966/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 TSHR 231/4885KDM4E 2088/4885ALDH1A1 1966/4885

“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.