SCHEMBL1328700

SCHEMBL1328700

CCc1cccc(CC)c1-c1cc(C)c(CN2CCCC(C)(C)C2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1327250 0.85 C5AR1 (0.38) C5AR1KDM4EMAPTRAB9AMAPK1
SCHEMBL2141586 0.85 C5AR1 (0.43) C5AR1KDM4EMAPTL3MBTL1
SCHEMBL2137925 0.85 C5AR1 (0.43) C5AR1KDM4EMAPTL3MBTL1
SCHEMBL2141112 0.84 C5AR1 (0.37) C5AR1
SCHEMBL1327452 0.81 DHODH (0.36) KDM4EMAPTRAB9A
SCHEMBL1327595 0.80 KDM4E (0.37) KDM4EMAPTRAB9A
SCHEMBL2138907 0.80 KMT2A (0.34) KDM4EMAPTMAPK1
SCHEMBL1330420 0.79 RECQL (0.37) C5AR1KDM4EMAPTRAB9AMAPK1
SCHEMBL1329564 0.79 C5AR1 (0.42) C5AR1KDM4E
SCHEMBL1328958 0.79 CYP2A13 (0.47) C5AR1KDM4EMAPTRAB9A

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 2/4885KDM4E 2088/4885MAPT 4726/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885KDM4E 2088/4885MAPT 4726/4885

“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.