SCHEMBL1328970

SCHEMBL1328970

CCc1cccc(CC)c1-c1cc(OC)c(COc2cc(C)c(C)cc2Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 14/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL1328225 0.88 L3MBTL1 (0.44) C5AR1MRGPRX4KDM4EL3MBTL1HDAC8
SCHEMBL1329951 0.86 MRGPRX4 (0.42) C5AR1MRGPRX4HDAC8
SCHEMBL1329108 0.85 MRGPRX4 (0.47) C5AR1MRGPRX4PIK3CD
SCHEMBL1329731 0.85 MAPT (0.45) C5AR1KDM4EL3MBTL1PIK3CD
SCHEMBL1327737 0.85 C5AR1 (0.37) C5AR1
SCHEMBL1328620 0.85 C5AR1 (0.44) C5AR1KDM4EL3MBTL1
SCHEMBL1329001 0.85 CYP1A2 (0.42) C5AR1MRGPRX4L3MBTL1HDAC8
SCHEMBL1329473 0.85 RECQL (0.43) C5AR1KDM4EL3MBTL1
SCHEMBL1328889 0.84 MAPT (0.50) C5AR1MRGPRX4L3MBTL1HDAC8PIK3CD
SCHEMBL1328479 0.84 L3MBTL1 (0.40) C5AR1KDM4EL3MBTL1

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 2/4885MRGPRX4 30/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MRGPRX4 30/4885KDM4E 2088/4885

“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.