SCHEMBL207841

SCHEMBL207841

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.40
TDO2 P48775 2/20 0.39
CCR1 P32246 1/20 0.39
FPR1 P21462 2/20 0.38
FPR2 P25090 1/20 0.38
PTK2 Q05397 1/20 0.38
TSHR P16473 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL209335 0.92 IDO1 (0.40) IDO1TDO2CCR1EIF2AK4USP30
SCHEMBL210778 0.92 IDO1 (0.42) IDO1TDO2CCR1FPR1FPR2
SCHEMBL208457 0.90 FPR1 (0.37) FPR1FPR2
SCHEMBL208862 0.87 NPC1 (0.37) IDO1TDO2CCR1PTK2TSHR
SCHEMBL206636 0.84 IDO1 (0.41) IDO1TDO2CCR1EIF2AK4USP30
SCHEMBL4269427 0.83 IDO1 (0.38) IDO1TDO2CCR1FPR1FPR2
SCHEMBL4269421 0.83 IDO1 (0.38) IDO1TDO2CCR1FPR1FPR2
SCHEMBL208363 0.83 F10 (0.42) IDO1TDO2CCR1PTK2TSHR
SCHEMBL209753 0.83 IDO1 (0.40) IDO1TDO2CCR1PTK2TSHR
SCHEMBL207922 0.82 ALDH1A1 (0.44) IDO1TDO2CCR1TSHRRAB9A

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 569/4885TDO2 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.