SCHEMBL207555

SCHEMBL207555

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD11B1 P28845 7/20 0.42
CYP2C9 P11712 1/20 0.42
BTK Q06187 1/20 0.40
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.37
PDE4B Q07343 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16170288 1.00 CTSK (0.43) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL15081499 1.00 CTSK (0.43) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL14908812 0.89 CTSK (0.43) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL208443 0.88 HSD11B1 (0.46) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL14197959 0.86 CTSK (0.45) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL13747445 0.84 MEN1 (0.46) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL207486 0.81 CTSK (0.43) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL12214165 0.80 CTSK (0.61) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL1649898 0.80 CTSK (0.61) CTSKCA1CA2HSD11B1CYP2C9
SCHEMBL1587352 0.80 CTSK (0.61) CTSKCA1CA2HSD11B1CYP2C9

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 CTSK 2877/4885CA1 3764/4885CA2 3326/4885

“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.