SCHEMBL3542036

SCHEMBL3542036

CCN(CC)CCNCc1ccc(Oc2cc(F)c(C)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LTA4H P09960 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ MCHR1 Q99705 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CACNA1B Q00975 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
SCHEMBL3536061 0.88 KDM4E (0.39) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL3537091 0.81 CD274 (0.41) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL13992690 0.79 KDM4E (0.45) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL3600634 0.74 TTR (0.42) CARM1PRMT6
SCHEMBL4844832 0.74 CD274 (0.42) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL3540435 0.73 CD274 (0.42) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL3542034 0.73 CACNA1B (0.49) MEN1KMT2AKDM4ELMNALTA4H
SCHEMBL13992632 0.71 KDM4E (0.51) MEN1KMT2AKDM4ESMN1; SMN2LTA4H
SCHEMBL2649617 0.71 MCHR1 (0.53) SMN1; SMN2EPHX2MCHR1CHRM2
SCHEMBL3540616 0.71 SMN1; SMN2 (0.39) MEN1KMT2AKDM4ELMNASMN1; SMN2

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 14 patents. 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
US-20120172378-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-05 — — 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-7638520-B2 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2009-12-29 — — US disclosed
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 — — EP disclosed
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds SMITHKLINE BEECHAM P.L.C. 2009-07-02 — — US disclosed
US-20090118313-A1 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 P.L.C. 2009-05-07 — — US disclosed
US-7470694-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 anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM, PLC (GB) 2008-12-30 — — US disclosed
US-20070155762-A1 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 anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC 2007-07-05 — — US disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 — — US disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 — — 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 (7 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-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds PLA2G4A, PLA2G4B, PLA2G1B MEN1 2772/4885KMT2A 2853/4885KDM4E 2168/4885
US-20090118313-A1 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 PLAT, PLA2G7, LYPLAL1 MEN1 4203/4885KMT2A 3864/4885KDM4E 3878/4885
US-20150045375-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B MEN1 3645/4885KMT2A 3328/4885KDM4E 3440/4885
US-20120172378-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B MEN1 3645/4885KMT2A 3328/4885KDM4E 3440/4885
US-20070155762-A1 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 anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 MEN1 2990/4885KMT2A 3374/4885KDM4E 3370/4885
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis PLA2G7, PLAT, PLA2G1B MEN1 3518/4885KMT2A 2745/4885KDM4E 2460/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B MEN1 2772/4885KMT2A 2853/4885KDM4E 2168/4885

“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.

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