SCHEMBL210448

SCHEMBL210448

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
F2 P00734 1/20 0.41
F5 P12259 1/20 0.41
IDO1 P14902 5/20 0.41
TDO2 P48775 2/20 0.40
USP30 Q70CQ3 1/20 0.39
CCR1 P32246 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.36
PTK2 Q05397 1/20 0.34
TSHR P16473 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
TRPA1 O75762 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL208363 0.92 F10 (0.42) F10F2F5IDO1TDO2
SCHEMBL210778 0.89 IDO1 (0.42) F10F2F5IDO1TDO2
SCHEMBL206636 0.88 IDO1 (0.41) F10F2F5IDO1TDO2
SCHEMBL209753 0.86 IDO1 (0.40) F10F2F5IDO1TDO2
SCHEMBL207922 0.86 ALDH1A1 (0.44) F10IDO1TDO2CCR1TSHR
SCHEMBL208895 0.85 F10 (0.43) F10F2F5IDO1TDO2
SCHEMBL4267724 0.85 IDO1 (0.39) F10F2F5IDO1TDO2
SCHEMBL209410 0.85 IDO1 (0.39) F10F2F5IDO1TDO2
SCHEMBL207801 0.85 IDO1 (0.39) F10F2F5IDO1TDO2
SCHEMBL209455 0.85 CCNK (0.42) IDO1TDO2CCR1EIF2AK4TSHR

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 4 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-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

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 F10 15/4885F2 1/4885F5 10/4885

“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.