SCHEMBL208813

SCHEMBL208813

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NN)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
CPB1 P15086 2/20 0.46
CTSK P43235 2/20 0.45
DPP4 P27487 3/20 0.44
KCNH2 Q12809 3/20 0.44
DPP7 Q9UHL4 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NTSR1 P30989 1/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL210509 0.89 PDE4B (0.47) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL4263739 0.89 PDE4B (0.49) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL4268253 0.89 PDE4B (0.49) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL210039 0.89 PDE4B (0.49) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL207775 0.88 PDE4B (0.53) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL209045 0.88 PDE4B (0.47) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL16096196 0.87 PDE4B (0.57) PDE4BCTSKL3MBTL1KMT2AHSD11B1
SCHEMBL208456 0.86 PDE4B (0.49) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL4261340 0.85 PDE4B (0.49) PDE4BCPB1CTSKDPP4KCNH2
SCHEMBL4266483 0.85 PDE4B (0.49) PDE4BCPB1CTSKDPP4KCNH2

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
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 PDE4B 3937/4885CPB1 1403/4885CTSK 2877/4885

“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.