SCHEMBL208443

SCHEMBL208443

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.46
CYP2C9 P11712 1/20 0.46
PDE4B Q07343 2/20 0.44
CTSK P43235 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX1 P07099 1/20 0.40
BTK Q06187 1/20 0.39

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
SCHEMBL13747445 0.88 MEN1 (0.46) HSD11B1CYP2C9PDE4BCTSKCA1
SCHEMBL207555 0.88 CTSK (0.43) HSD11B1CYP2C9PDE4BCTSKCA1
SCHEMBL16170288 0.88 CTSK (0.43) HSD11B1CYP2C9PDE4BCTSKCA1
SCHEMBL14908812 0.88 CTSK (0.43) HSD11B1CYP2C9PDE4BCTSKCA1
SCHEMBL15081499 0.88 CTSK (0.43) HSD11B1CYP2C9PDE4BCTSKCA1
SCHEMBL208362 0.82 HSD11B1 (0.40) HSD11B1CYP2C9PDE4BCTSKCA1
SCHEMBL16164661 0.81 PDE4B (0.56) HSD11B1CYP2C9PDE4B
SCHEMBL14911483 0.81 PDE4B (0.56) HSD11B1CYP2C9PDE4B
SCHEMBL20480165 0.80 PDE4B (0.45) HSD11B1CYP2C9PDE4BCTSKCA1
SCHEMBL20480166 0.80 PDE4B (0.45) HSD11B1CYP2C9PDE4BCTSKCA1

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 HSD11B1 1245/4885CYP2C9 199/4885PDE4B 3937/4885

“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.