SCHEMBL207913

SCHEMBL207913

CN1CC[C@H](NC(=O)OCc2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.47
CPB1 P15086 2/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PDE4B Q07343 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SYK P43405 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
DRD2 P14416 1/20 0.43
KCNA3 P22001 1/20 0.43

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
SCHEMBL209968 0.88 DRD2 (0.50) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL4263739 0.87 PDE4B (0.49) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL210039 0.87 PDE4B (0.49) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL208375 0.87 CTSL (0.46) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL206802 0.87 KMT2A (0.47) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL4268253 0.87 PDE4B (0.49) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL207775 0.86 PDE4B (0.53) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL4033681 0.85 CPB1 (0.54) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL3563686 0.85 KMT2A (0.56) CTSLCPB1CTSKCTSBPDE4B
SCHEMBL16096196 0.85 PDE4B (0.57) CTSKPDE4BKMT2AL3MBTL1SYK

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 CTSL 2606/4885CPB1 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.