SCHEMBL1328528

SCHEMBL1328528

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2ccccc2S(C)(=O)=O)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 8/20 0.38
MPO P05164 1/20 0.35
GCK P35557 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
RAC1 P63000 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PTGS2 P35354 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
F2 P00734 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31

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
SCHEMBL1327730 0.89 C5AR1 (0.42) C5AR1FFAR4
SCHEMBL1327763 0.87 FFAR4 (0.41) C5AR1FFAR4
SCHEMBL1330290 0.86 C5AR1 (0.42) C5AR1
SCHEMBL1328120 0.85 C5AR1 (0.40) C5AR1FFAR4
SCHEMBL1327856 0.85 C5AR1 (0.41) C5AR1FFAR4ADRA2AADRA2BADRA2C
SCHEMBL1329605 0.85 C5AR1 (0.40) C5AR1FFAR4
SCHEMBL1330106 0.84 C5AR1 (0.42) C5AR1FFAR4
SCHEMBL1327632 0.83 C5AR1 (0.39) C5AR1FFAR4
SCHEMBL1329091 0.83 C5AR1 (0.39) C5AR1FFAR4
SCHEMBL1327085 0.83 C5AR1 (0.35) 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 2/4885MPO 716/4885GCK 4079/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885MPO 716/4885GCK 4079/4885

“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.