SCHEMBL2299168

SCHEMBL2299168

CC(C)(C)OCC1C(=O)NCCN1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.53
KCNH2 Q12809 1/20 0.53
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL29171350 1.00 DPP4 (0.53) DPP4KCNH2TSHRL3MBTL1KDM4E
SCHEMBL7412000 0.84 DPP4 (0.51) DPP4TSHRL3MBTL1KDM4ELMNA
SCHEMBL7497591 0.84 DPP4 (0.51) DPP4TSHRL3MBTL1KDM4ELMNA
SCHEMBL7873453 0.80 KMT2A (0.51) DPP4KCNH2KDM4EKMT2AALDH1A1
SCHEMBL345361 0.76 DPP4 (0.68) DPP4KCNH2
SCHEMBL23925182 0.75 TSHR (0.50) TSHRL3MBTL1KDM4ELMNAKMT2A
SCHEMBL14518853 0.75 DPP4 (0.47) DPP4KCNH2TSHRL3MBTL1KDM4E
Dimethylamine SCHEMBL28896303 0.75 TSHR (0.49) TSHRL3MBTL1KDM4ELMNAKMT2A
SCHEMBL1584098 0.74 TSHR (0.48) TSHRL3MBTL1KDM4ELMNAKMT2A
SCHEMBL9003054 0.73 KMT2A (0.68) TSHRL3MBTL1KDM4ELMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351567-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF DIABETES OR OBESITY COMPRISING A COMPOUND THAT INHIBITS ACTIVITY OF DIPEPTIDYL PEPTIDASE-IV, AND OTHER ANTIDIABETIC OR ANTIOBESITY AGENTS AS ACTIVE INGREDIENTS DONG A ST CO LTD (KR) 2017-11-22 EP disclosed
EP-2142519-B1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING A DIABETES OR AN OBESITY DONG A PHARM CO LTD (KR) 2014-09-24 EP disclosed
US-8440669-B2 Pharmaceutical composition for prevention and treatment of diabetes or obesity comprising a compound that inhibits activity of dipeptidyl peptidase-IV, and other antidiabetic or antiobesity agents as active ingredients DONG-A PHARMACEUTICAL CO. LTD. (KR) 2013-05-14 US disclosed
US-8030315-B2 DPP-IV inhibitor including beta-amino group, preparation method thereof and pharmaceutical composition containing the same for preventing and treating diabetes or obesity DONG-A PHARM. CO., LTD. (KR) 2011-10-04 US disclosed
US-20110201624-A1 Pharmaceutical Composition for Prevention and Treatment of Diabetes or Obesity Comprising a Compound that Inhibits Activity of Dipeptidyl Peptidase-IV, and other Antidiabetic or Antiobesity Agents as Active Ingredients DONG-A PHARMACEUTICAL. CO., LTD (KR) 2011-08-18 US disclosed
EP-2351567-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF DIABETES OR OBESITY COMPRISING A COMPOUND THAT INHIBITS ACTIVITY OF DIPEPTIDYL PEPTIDASE-IV, AND OTHER ANTIDIABETIC OR ANTIOBESITY AGENTS AS ACTIVE INGREDIENTS Dong-A Pharmaceutical Co., Ltd. (KR) 2011-08-03 EP disclosed
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DONG-A PHARM. CO., LTD (KR) 2010-05-13 US disclosed
EP-2142519-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING A DIABETES OR AN OBESITY Dong-A Pharm.Co., Ltd. (KR) 2010-01-13 EP disclosed
WO-2008130151-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING A DIABETES OR AN OBESITY DONG-A PHARM. CO., LTD. (KR) 2008-10-30 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 (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-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DPP4, DPP7, DPP3 DPP4 1/4885KCNH2 1962/4885TSHR 4179/4885
US-20110201624-A1 Pharmaceutical Composition for Prevention and Treatment of Diabetes or Obesity Comprising a Compound that Inhibits Activity of Dipeptidyl Peptidase-IV, and other Antidiabetic or Antiobesity Agents as Active Ingredients DPP4, DPP3, DPP7 DPP4 1/4885KCNH2 3038/4885TSHR 4363/4885

“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.