SCHEMBL3033676

SCHEMBL3033676

CCOC(=O)CC1CCC(CN(CC)c2ccc(C(F)(F)F)cc2C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DHFR P00374 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PPARG P37231 1/20 0.34
DGAT1 O75907 2/20 0.34
CRHR1 P34998 1/20 0.34
HSD11B1 P28845 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LTC4S Q16873 1/20 0.33
CNR2 P34972 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
SOAT1 P35610 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3033678 1.00 CCRL2 (0.41) CCRL2CYP11B1CYP11B2DHFRPTGDR2
SCHEMBL3577352 0.88 DGAT1 (0.43) PTGDR2DGAT1FFAR4SOAT1
SCHEMBL3577349 0.88 DGAT1 (0.43) PTGDR2DGAT1FFAR4SOAT1
SCHEMBL14999611 0.85 CCRL2 (0.39) CCRL2CYP11B1CYP11B2DHFRPTGDR2
SCHEMBL3046479 0.84 CSNK1D (0.36) CRHR1HSD11B1ALDH1A1L3MBTL1
SCHEMBL4234064 0.82 KDM4E (0.41) CCRL2CYP11B1CYP11B2DGAT1CRHR1
SCHEMBL14470738 0.82 KDM4E (0.41) CCRL2CYP11B1CYP11B2DGAT1CRHR1
SCHEMBL4231284 0.82 KDM4E (0.41) CCRL2CYP11B1CYP11B2DGAT1CRHR1
SCHEMBL1587823 0.80 CNR2 (0.43) CRHR1HSD11B1ALDH1A1CNR2
SCHEMBL14999613 0.78 CCRL2 (0.37) CCRL2CYP11B1CYP11B2PTGDR2CRHR1

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
EP-2149563-B9 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-04-22 EP disclosed
EP-2149563-B1 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-01-07 EP disclosed
US-7659271-B2 Pyrimidine compound having dibenzylamine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2010-02-09 US disclosed
EP-2149563-A1 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND Kowa Company. Ltd. (JP) 2010-02-03 EP disclosed
US-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) KOWA COMPANY, LTD. (JP) 2009-03-26 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 (1 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-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) CETP, NPC1L1, MTTP CCRL2 482/4885CYP11B1 1584/4885CYP11B2 2109/4885

“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.