SCHEMBL210509

SCHEMBL210509

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
CTSK P43235 3/20 0.45
CTSL P07711 2/20 0.43
CPB1 P15086 2/20 0.43
CTSB P07858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42
DPP4 P27487 3/20 0.42
KCNH2 Q12809 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SYK P43405 1/20 0.41
FKBP1A P62942 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL4263739 0.90 PDE4B (0.49) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL210039 0.90 PDE4B (0.49) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL4268253 0.90 PDE4B (0.49) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL208813 0.89 PDE4B (0.47) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL209045 0.89 PDE4B (0.47) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL207775 0.87 PDE4B (0.53) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL16096196 0.86 PDE4B (0.57) PDE4BCTSKL3MBTL1KMT2AHSD11B1
SCHEMBL208456 0.85 PDE4B (0.49) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL4261333 0.85 PDE4B (0.49) PDE4BCTSKCTSLCPB1CTSB
SCHEMBL4261340 0.85 PDE4B (0.49) PDE4BCTSKCTSLCPB1CTSB

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 3937/4885CTSK 2877/4885CTSL 2606/4885

“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.