SCHEMBL209774

SCHEMBL209774

CC(C)(C)OC(=O)N[C@@H]1CN(C=O)CC[C@@H]1N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ HSD11B1 P28845 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNA3 P22001 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34

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
SCHEMBL1307245 0.80 CTSK (0.59) CTSKCA1CA2BTKHSD11B1
SCHEMBL14206912 0.80 CTSK (0.59) CTSKCA1CA2BTKHSD11B1
SCHEMBL6826860 0.80 CTSK (0.59) CTSKCA1CA2BTKHSD11B1
SCHEMBL14908812 0.80 CTSK (0.43) CTSKCA1CA2BTKHSD11B1
SCHEMBL16170288 0.80 CTSK (0.43) CTSKCA1CA2BTKHSD11B1
SCHEMBL207555 0.80 CTSK (0.43) CTSKCA1CA2BTKHSD11B1
SCHEMBL207486 0.80 CTSK (0.43) CTSKCA1CA2BTKHSD11B1
SCHEMBL15081499 0.80 CTSK (0.43) CTSKCA1CA2BTKHSD11B1
SCHEMBL208443 0.78 HSD11B1 (0.46) CTSKCA1CA2BTKHSD11B1
SCHEMBL20069569 0.78 CTSK (0.42) CTSKCA1CA2BTKHSD11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864982-B1 TRIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2012-10-24 — — EP 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
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.

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