SCHEMBL3258317

SCHEMBL3258317

CC(C)(C)NC(=O)C(N)C(N)C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
EPHX1 P07099 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.33
DPP4 P27487 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
HIF1A Q16665 1/20 0.33
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC2 Q92769 1/20 0.32
APEX1 P27695 1/20 0.31
CXCL8 P10145 1/20 0.30

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
SCHEMBL355353 0.87 DPP4 (0.47) POLBEPHX1MEN1KMT2AALDH1A1
SCHEMBL12234234 0.87 POLB (0.40) POLBEPHX1ALDH1A1DPP4FAP
SCHEMBL24543397 0.87 POLB (0.40) POLBEPHX1ALDH1A1DPP4FAP
SCHEMBL24543396 0.87 POLB (0.40) POLBEPHX1ALDH1A1DPP4FAP
SCHEMBL10451323 0.87 DPP4 (0.47) POLBEPHX1MEN1KMT2AALDH1A1
SCHEMBL24543161 0.87 POLB (0.40) POLBEPHX1ALDH1A1DPP4FAP
SCHEMBL23975825 0.87 DPP4 (0.47) POLBEPHX1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL356236 0.85 DPP4 (0.45) POLBEPHX1ALDH1A1DPP4FAP
SCHEMBL12234218 0.81 DPP4 (0.43) POLBEPHX1MEN1KMT2AALDH1A1
SCHEMBL24543407 0.81 DPP4 (0.43) POLBEPHX1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099749-B1 C-H BOND AMINATION AND OLEFIN AZIRIDINATION WITH BETA-DIKETIMINATO COPPER CATALYSTS UNIV GEORGETOWN (US) 2015-09-23 EP disclosed
US-8471051-B2 C-H bond amination and olefin aziridination with β-diketiminato copper catalysts GEORGETOWN UNIVERSITY (US) 2013-06-25 US disclosed
US-20100056806-A1 C-H Bond Amination and Olefin Aziridination with Beta-Diketiminato Copper Catalysts GEORGETOWN UNIVERSITY (US) 2010-03-04 US disclosed
EP-2099749-A2 C--H BOND AMINATION AND OLEFIN AZIRIDINATION WITH BETA-DIKETIMINATO COPPER CATALYSTS Georgetown University (US) 2009-09-16 EP disclosed
WO-2008073781-A2 C--H BOND AMINATION AND OLEFIN AZIRIDINATION WITH BETA-DIKETIMINATO COPPER CATALYSTS GEORGETOWN UNIVERSITY (US) 2008-06-19 WO disclosed
WO-2005007659-A2 DIKETIMINATO CU(I) AND CO(I) CARBENE CATALYSTS, AND CYCLOPROPANATION METHODS USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-27 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 (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-20100056806-A1 C-H Bond Amination and Olefin Aziridination with Beta-Diketiminato Copper Catalysts AOC2, AOC1, AOC3 POLB 932/4885EPHX1 969/4885MEN1 4687/4885

“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.