SCHEMBL1329129

SCHEMBL1329129

CCCc1cccc(OCc2ccc(-c3c(CC)cccc3CC)nc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
SOD1 P00441 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ABCB1 P08183 5/20 0.36
BCHE P06276 3/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
FFAR1 O14842 1/20 0.35
CHRM2 P08172 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
SCHEMBL1328898 0.85 BRD4 (0.40) CYSLTR2CYSLTR1PPARGCCNB2CDK1
SCHEMBL1329104 0.84 SLC22A12 (0.41) CYSLTR2CYSLTR1SOD1PPARGPPARA
SCHEMBL1328705 0.82 PTGER4 (0.47) SOD1CCNB2CDK1CDK4CCNB1
SCHEMBL1329619 0.82 CCNB2 (0.39) PPARGCCNB2CDK1CDK4CCNB1
SCHEMBL1329576 0.82 ABCB1 (0.41) ABCB1BCHESLC22A12HTR1ADRD2
SCHEMBL1328775 0.82 POLB (0.41) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1329430 0.82 ALOX5 (0.42) CYSLTR2CYSLTR1CCNB2CDK1CDK4
SCHEMBL1327752 0.82 RXFP1 (0.35) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327783 0.80 C5AR1 (0.39) CYSLTR2CYSLTR1SOD1PPARGPPARA
SCHEMBL1328968 0.77 ABCB1 (0.45) ABCB1BCHEHTR1ADRD2

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 CYSLTR2 144/4885CYSLTR1 76/4885SOD1 4506/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CYSLTR2 144/4885CYSLTR1 76/4885SOD1 4506/4885

“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.