SCHEMBL1328305

SCHEMBL1328305

CCc1cccc(CC)c1-c1cc(C)c(COc2cc(C)c(Cl)c(C)c2)c(C)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
C5AR1 P21730 4/20 0.38
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
FGFR4 P22455 1/20 0.35
MCL1 Q07820 3/20 0.35
BCL2 P10415 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1327866 0.90 C5AR1 (0.39) MAPTLMNAHPGDC5AR1
SCHEMBL1328429 0.90 POLB (0.45) MRGPRX4LMNAHPGDKDM4EC5AR1
SCHEMBL1328403 0.88 MRGPRX4 (0.44) MRGPRX4MAPTLMNAHPGDKDM4E
SCHEMBL1328223 0.88 C5AR1 (0.39) MAPTKDM4EC5AR1
SCHEMBL1330673 0.87 C5AR1 (0.38) MRGPRX4MAPTLMNAHPGDKDM4E
SCHEMBL1329437 0.87 C5AR1 (0.39) MAPTKDM4EC5AR1POLBTP53
SCHEMBL1328708 0.86 C5AR1 (0.40) MAPTLMNAHPGDKDM4EC5AR1
SCHEMBL1327637 0.86 L3MBTL1 (0.40) MRGPRX4MAPTLMNAHPGDKDM4E
SCHEMBL1327735 0.86 C5AR1 (0.38) C5AR1POLBL3MBTL1
SCHEMBL1327287 0.84 BRD4 (0.39) MAPTLMNAHPGDKDM4EC5AR1

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 MRGPRX4 30/4885MAPT 4726/4885LMNA 3672/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MRGPRX4 30/4885MAPT 4726/4885LMNA 3672/4885

“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.