SCHEMBL3456705

SCHEMBL3456705

CCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.65
BACE1 P56817 7/20 0.65
BCHE P06276 6/20 0.65
TEAD1 P28347 1/20 0.55
SLC6A5 Q9Y345 1/20 0.51
CARM1 Q86X55 2/20 0.50
PRMT6 Q96LA8 2/20 0.50
PHGDH O43175 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
HTR5A P47898 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL13989041 0.90 ACHE (0.53) ACHEBACE1BCHETEAD1SLC6A5
SCHEMBL4838899 0.86 BCHE (0.61) ACHEBACE1BCHETEAD1SLC6A5
SCHEMBL3456800 0.85 HRH3 (0.54) ACHEBACE1BCHECARM1PRMT6
SCHEMBL3456633 0.84 ACHE (0.59) ACHEBACE1BCHETEAD1SLC6A5
SCHEMBL6390812 0.84 ACHE (0.59) ACHEBACE1BCHETEAD1CARM1
SCHEMBL3457662 0.83 BCHE (0.57) ACHEBACE1BCHETEAD1CARM1
SCHEMBL3457686 0.82 ACHE (0.64) ACHEBACE1BCHECARM1PRMT6
SCHEMBL3456523 0.82 SLC2A1 (0.55) ACHEBACE1BCHESLC6A5HRH3
SCHEMBL3456943 0.82 BCHE (0.54) ACHEBACE1BCHETEAD1SLC6A5
SCHEMBL4208525 0.82 ACHE (0.65) ACHEBACE1BCHETEAD1SLC6A5

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 US disclosed
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 US disclosed
US-8871775-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2258688-B1 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM LTD (GB) 2012-11-21 EP disclosed
US-20120172378-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 EP disclosed
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-7652019-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC (GB) 2010-01-26 US disclosed
US-7652019-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC (GB) 2010-01-26 US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US disclosed
EP-1644353-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES Bayer HealthCare AG (DE) 2006-04-12 EP disclosed
US-20050020832-A1 Pyridone, pyridazone and triazone derivatives as lp-pla2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2005-01-27 US disclosed
US-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis GLAXO GROUP LIMITED (GB) 2005-01-20 US disclosed
WO-2005003118-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES BAYER HEALTHCARE AG (DE) 2005-01-13 WO disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
EP-1326841-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SmithKline Beecham P.L.C. (GB) 2003-07-16 EP disclosed
WO-2002030904-A1 PYRIDINONE DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 WO 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 (6 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-20050014793-A1 Pyridinone derivatives for treatment of atherosclerosis PNPO, PLA2G7, PLA2G4B ACHE 1388/4885BACE1 1428/4885BCHE 2168/4885
US-20050020832-A1 Pyridone, pyridazone and triazone derivatives as lp-pla2 inhibitors PLPBP, PLA2G4B, PLA2G12B ACHE 1792/4885BACE1 1728/4885BCHE 3333/4885
US-20150045375-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B ACHE 3682/4885BACE1 689/4885BCHE 3706/4885
US-20120172378-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B ACHE 3682/4885BACE1 689/4885BCHE 3706/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B ACHE 1946/4885BACE1 421/4885BCHE 3003/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B ACHE 2707/4885BACE1 786/4885BCHE 2358/4885

“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.