SCHEMBL208456

SCHEMBL208456

COC(=O)C(=O)N1CC[C@H](NC(=O)OCc2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
CPB1 P15086 2/20 0.46
FKBP1A P62942 1/20 0.45
CTSK P43235 2/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
HTT P42858 1/20 0.42
DPP4 P27487 2/20 0.42
KCNH2 Q12809 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL207775 0.90 PDE4B (0.53) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4268253 0.89 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4263739 0.89 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL210039 0.89 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL207769 0.89 PDE4B (0.48) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4261340 0.87 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4261333 0.87 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL4266483 0.87 PDE4B (0.49) PDE4BCPB1CTSKCTSLCTSB
SCHEMBL16096196 0.87 PDE4B (0.57) PDE4BCTSKKMT2AL3MBTL1HSD11B1
SCHEMBL208813 0.86 PDE4B (0.47) PDE4BCPB1CTSKCTSLCTSB

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 5 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-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 1403/4885FKBP1A 2534/4885

“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.