SCHEMBL1006353

SCHEMBL1006353

CC(C)(C)OC(=O)N1CCC(C(=O)C(F)(F)F)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
GPR119 Q8TDV5 5/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
STS P08842 1/20 0.40
ALDH1A1 P00352 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL3114371 0.86 KDM4E (0.43) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL21995232 0.86 NR1H2 (0.39) KDM4EMAPTTHRBHPGDALDH1A1
SCHEMBL22056023 0.86 NR1H2 (0.39) KDM4EMAPTTHRBHPGDALDH1A1
SCHEMBL4722920 0.84 HPGD (0.47) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL8304911 0.84 GPR119 (0.47) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL10296221 0.84 MAPT (0.46) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL23979945 0.82 ALDH1A1 (0.45) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL23580316 0.80 MAPT (0.45) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL23274802 0.80 MAPT (0.47) KDM4EMAPTTHRBHPGDGPR119
SCHEMBL652243 0.78 MEN1 (0.45) KDM4EMAPTTHRBHPGDGPR119

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727224-B Process for preparing intermediates for the synthesis of pharmaceuticals 株式会社LG化学 2021-03-23 CN disclosed
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 WO disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2086643-B1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LTD (GB) 2011-03-23 EP disclosed
US-7879848-B2 good inhibition activity versus Dipeptidyl Peptidase-IV (DPP-IV); Diabetes mellitus, obesity; 3-[2S-amino-4-oxo-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-butyl]-oxazolidin-2-one; compounds having an optionally substituted lactam ring structure LG LIFE SCIENCES, LTD. (KR) 2011-02-01 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
EP-1554256-A4 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-06-13 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
WO-2006104356-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2006-10-05 WO disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
EP-1554256-A1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES Merck & Co., Inc. (US) 2005-07-20 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 WO disclosed
WO-2004007468-A1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO., INC. (US) 2004-01-22 WO 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 KDM4E 2571/4885MAPT 1228/4885THRB 1308/4885
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 KDM4E 497/4885MAPT 3014/4885THRB 2488/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 KDM4E 3157/4885MAPT 4623/4885THRB 496/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KDM4E 2571/4885MAPT 1227/4885THRB 1308/4885
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes DPP4, DPP3, DPP7 KDM4E 578/4885MAPT 3923/4885THRB 3302/4885

“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.