SCHEMBL3043965

SCHEMBL3043965

CCN(CC1CCCC1)c1cc(Cl)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CRHR1 P34998 6/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A3 P47895 1/20 0.35
CNR2 P34972 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL3046946 0.84 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALDH1A3CNR2MEN1
SCHEMBL3043051 0.84 ALDH1A3 (0.40) ALDH1A1L3MBTL1ALDH1A3CNR2GAA
SCHEMBL3039488 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1CNR2
SCHEMBL3044441 0.81 CSNK1D (0.39) CRHR1ALDH1A1L3MBTL1ALDH1A3
SCHEMBL3043759 0.81 SRC (0.38) TDP1TSHRALDH1A1L3MBTL1ALDH1A3
SCHEMBL3041869 0.80 ALDH1A1 (0.35) ALDH1A1L3MBTL1ALDH1A3CNR2MEN1
SCHEMBL3545615 0.77 CNR1 (0.33) ALDH1A1L3MBTL1ALDH1A3CNR2
SCHEMBL3041872 0.77 CNR1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3539336 0.77 NPC1 (0.34) ALDH1A1L3MBTL1ALDH1A3CNR2MEN1
SCHEMBL3036495 0.76 GRIA2 (0.38) ALDH1A1L3MBTL1ALDH1A3

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 PSEN1 4112/4885PSEN2 4045/4885APH1B 2766/4885

“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.