SCHEMBL2394735

SCHEMBL2394735

CCN(CC1CCCC1)c1nc2ccc(C(F)(F)F)cc2cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.39
MDM2 Q00987 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
MCHR1 Q99705 4/20 0.34
HRH3 Q9Y5N1 3/20 0.34
S1PR1 P21453 1/20 0.34
USP2 O75604 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL2392414 0.84 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4EMEN1MAPT
SCHEMBL2393935 0.83 ALDH1A1 (0.45) ALDH1A1L3MBTL1BACE1KDM4EMEN1
SCHEMBL4195023 0.82 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4EMEN1MAPT
SCHEMBL3044441 0.82 CSNK1D (0.39) CSNK1DMDM2MCHR1HRH3S1PR1
SCHEMBL5623938 0.82 ALDH1A1 (0.46) USP2ALDH1A1L3MBTL1BACE1KDM4E
SCHEMBL2395691 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EMEN1MAPT
SCHEMBL4228333 0.80 TRPM8 (0.41) CSNK1DMDM2MCHR1UBE2MDCUN1D1
SCHEMBL3046479 0.80 CSNK1D (0.36) CSNK1DMDM2MCHR1HRH3UBE2M
SCHEMBL4189946 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EMEN1MAPT
SCHEMBL2393581 0.76 FFAR2 (0.35) ALDH1A1L3MBTL1KDM4EMEN1MAPT

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-2138489-B9 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME KOWA CO (JP) 2012-10-24 EP disclosed
EP-2138489-B1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME KOWA CO (JP) 2012-07-11 EP disclosed
US-8012989-B2 Substituted pyrimidine compounds and their utility as CETP inhibitors KOWA COMPANY, LTD. (JP) 2011-09-06 US disclosed
US-20100249148-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2010-09-30 US disclosed
US-7790737-B2 Substituted pyrimidine compounds and their utility as CETP inhibitors KOWA COMPANY, LTD. (JP) 2010-09-07 US disclosed
EP-2138489-A1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME Kowa Company. Ltd. (JP) 2009-12-30 EP disclosed
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2009-03-05 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 (2 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-20100249148-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 CSNK1D 680/4885MDM2 4441/4885FABP4 359/4885
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 CSNK1D 680/4885MDM2 4441/4885FABP4 359/4885

“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.