SCHEMBL2394599

SCHEMBL2394599

CCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.51
PNMT P11086 1/20 0.44
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CES2 O00748 1/20 0.39
TACR1 P25103 6/20 0.37
S1PR1 P21453 1/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL5610427 1.00 PDE2A (0.51) PDE2APNMTLMNAAKR1C3AKR1C2
SCHEMBL9903281 0.84 PNMT (0.42) PDE2APNMTAKR1C3AKR1C2CES2
SCHEMBL25920947 0.83 PNMT (0.47) PDE2APNMTAKR1C3AKR1C2CES2
SCHEMBL4669029 0.81 PNMT (0.70) PDE2APNMTLMNACES2IDO1
SCHEMBL30728210 0.81 PNMT (0.70) PDE2APNMTLMNACES2IDO1
SCHEMBL459815 0.81 PNMT (0.46) PDE2APNMTCES2TACR1IDO1
SCHEMBL6484095 0.81 PNMT (0.46) PDE2APNMTCES2TACR1IDO1
SCHEMBL20815361 0.81 LMNA (0.45) PDE2ALMNA
SCHEMBL264592 0.81 PNMT (0.46) PDE2APNMTCES2TACR1IDO1
SCHEMBL478137 0.79 PDE2A (0.56) PDE2APNMTLMNACES2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185296-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY Merck Sharp & Dohme LLC (US) 2023-05-31 EP disclosed
EP-2934519-B1 THERAPEUTIC THIAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2021-05-12 EP disclosed
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-101679363-B Novel pyrimidine compound having benzyl(heterocyclicmethyl)amine structure and pharmaceutical product containing the same KOWA CO 2013-06-05 CN disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
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-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 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
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
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-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
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
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 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 (5 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 PDE2A 3601/4885PNMT 2499/4885LMNA 2286/4885
US-20100249148-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 PDE2A 3677/4885PNMT 1733/4885LMNA 3334/4885
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 PDE2A 3677/4885PNMT 1733/4885LMNA 3334/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PDE2A 1812/4885PNMT 3212/4885LMNA 2080/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR PDE2A 2246/4885PNMT 413/4885LMNA 4260/4885

“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.