SCHEMBL3044441

SCHEMBL3044441

CCN(CC1CCCC1)c1cc(C(F)(F)F)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.39
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 3/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
NAMPT P43490 1/20 0.34
S1PR1 P21453 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MCHR1 Q99705 3/20 0.33
USP2 O75604 1/20 0.33
GRM5 P41594 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A3 P47895 1/20 0.33
MDM2 Q00987 1/20 0.33
CRHR1 P34998 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
SCHEMBL3046479 0.90 CSNK1D (0.36) CSNK1DALDH1A1L3MBTL1HSD11B1UBE2M
SCHEMBL3046946 0.84 ALDH1A1 (0.39) ALDH1A1L3MBTL1POLBRAB9AALDH1A3
SCHEMBL2394735 0.82 CSNK1D (0.39) CSNK1DALDH1A1L3MBTL1HSD11B1UBE2M
SCHEMBL3043051 0.81 ALDH1A3 (0.40) ALDH1A1L3MBTL1POLBRAB9AALDH1A3
SCHEMBL3043965 0.81 PSEN1 (0.39) ALDH1A1L3MBTL1ALDH1A3CRHR1
SCHEMBL3041869 0.79 ALDH1A1 (0.35) ALDH1A1L3MBTL1POLBALDH1A3
SCHEMBL3039488 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBOPRM1
SCHEMBL3577352 0.78 DGAT1 (0.43)
SCHEMBL3577349 0.78 DGAT1 (0.43)
SCHEMBL3043759 0.78 SRC (0.38) ALDH1A1L3MBTL1OPRM1ALDH1A3

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 7 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
CN-101679309-B Novel pyrimidine compound having dibenzylamine structure, and medicine comprising the compound KOWA CO 2012-02-29 CN disclosed
CN-101679309-A Novel pyrimidine compound having dibenzylamine structure, and medicine comprising the compound KOWA CO 2010-03-24 CN 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 CSNK1D 1375/4885ALDH1A1 4452/4885L3MBTL1 179/4885

“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.