SCHEMBL210778

SCHEMBL210778

CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
TDO2 P48775 2/20 0.41
CCR1 P32246 1/20 0.41
PTK2 Q05397 1/20 0.40
FPR1 P21462 2/20 0.39
FPR2 P25090 1/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
F5 P12259 1/20 0.39
TSHR P16473 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.38
USP30 Q70CQ3 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL207841 0.92 IDO1 (0.40) IDO1TDO2CCR1PTK2FPR1
SCHEMBL206636 0.92 IDO1 (0.41) IDO1TDO2CCR1F10F2
SCHEMBL208363 0.90 F10 (0.42) IDO1TDO2CCR1PTK2F10
SCHEMBL209753 0.90 IDO1 (0.40) IDO1TDO2CCR1PTK2F10
SCHEMBL207922 0.90 ALDH1A1 (0.44) IDO1TDO2CCR1F10TSHR
SCHEMBL210847 0.89 BCL2 (0.38) FPR1FPR2TSHRUSP30NPC1
SCHEMBL208895 0.89 F10 (0.43) IDO1TDO2CCR1PTK2F10
SCHEMBL4267724 0.89 IDO1 (0.39) IDO1TDO2CCR1FPR1FPR2
SCHEMBL207801 0.89 IDO1 (0.39) IDO1TDO2CCR1F10F2
SCHEMBL210448 0.89 F10 (0.41) IDO1TDO2CCR1PTK2F10

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 8 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-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 IDO1 569/4885TDO2 547/4885CCR1 1496/4885

“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.