SCHEMBL1328398

SCHEMBL1328398

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2cc(C)c(C)cc2Cl)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 9/20 0.37
S1PR1 P21453 2/20 0.35
NR1H4 Q96RI1 4/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL1327694 0.89 C5AR1 (0.37) C5AR1NR1H4MRGPRX4
SCHEMBL1328614 0.89 MRGPRX4 (0.40) C5AR1S1PR1NR1H4FFAR4MRGPRX4
SCHEMBL2139751 0.88 NR1H4 (0.36) C5AR1NR1H4
SCHEMBL1328473 0.88 C5AR1 (0.38) C5AR1S1PR1NR1H4
SCHEMBL1330250 0.87 MRGPRX4 (0.40) C5AR1NR1H4MRGPRX4
SCHEMBL1329563 0.87 C5AR1 (0.37) C5AR1S1PR1NR1H4
SCHEMBL1327872 0.87 C5AR1 (0.39) C5AR1S1PR1FFAR4
SCHEMBL1330673 0.87 C5AR1 (0.38) C5AR1NR1H4MRGPRX4
SCHEMBL1327763 0.86 FFAR4 (0.41) C5AR1FFAR4
SCHEMBL1327730 0.86 C5AR1 (0.42) C5AR1FFAR4

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 2/4885S1PR1 220/4885NR1H4 543/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885S1PR1 220/4885NR1H4 543/4885

“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.