SCHEMBL209410

SCHEMBL209410

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
PTK2 Q05397 1/20 0.39
TDO2 P48775 2/20 0.38
CCR1 P32246 1/20 0.38
TSHR P16473 2/20 0.38
F10 P00742 3/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
F2 P00734 1/20 0.37
F5 P12259 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL207922 0.89 ALDH1A1 (0.44) IDO1TDO2CCR1TSHRF10
SCHEMBL210778 0.89 IDO1 (0.42) IDO1PTK2TDO2CCR1TSHR
SCHEMBL206636 0.88 IDO1 (0.41) IDO1TDO2CCR1F10EIF2AK4
SCHEMBL4267730 0.87 IDO1 (0.39) IDO1TDO2CCR1TSHRF10
SCHEMBL4267724 0.87 IDO1 (0.39) IDO1TDO2CCR1TSHRF10
SCHEMBL208363 0.86 F10 (0.42) IDO1PTK2TDO2CCR1TSHR
SCHEMBL209753 0.86 IDO1 (0.40) IDO1PTK2TDO2CCR1TSHR
SCHEMBL209026 0.85 IDO1 (0.37) IDO1TDO2CCR1TSHRF10
SCHEMBL4269427 0.85 IDO1 (0.38) IDO1TDO2CCR1TSHRF10
SCHEMBL4269421 0.85 IDO1 (0.38) IDO1TDO2CCR1TSHRF10

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 IDO1 569/4885PTK2 627/4885TDO2 547/4885

“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.