SCHEMBL208895

SCHEMBL208895

CN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
F2 P00734 1/20 0.43
F5 P12259 1/20 0.43
CCR1 P32246 1/20 0.42
TSHR P16473 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.39
IDO1 P14902 3/20 0.39
USP30 Q70CQ3 1/20 0.39
SSTR4 P31391 3/20 0.39
SSTR1 P30872 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTK2 Q05397 1/20 0.39
TDO2 P48775 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DEGS1 O15121 1/20 0.37

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
SCHEMBL209285 0.89 F10 (0.39) F10F2F5CCR1TSHR
SCHEMBL210778 0.89 IDO1 (0.42) F10F2F5CCR1TSHR
SCHEMBL208900 0.88 DRD2 (0.44) F10F2F5CCR1TSHR
SCHEMBL207795 0.88 NPC1 (0.39) F10F2F5CCR1TSHR
SCHEMBL206636 0.88 IDO1 (0.41) F10F2F5CCR1EIF2AK4
SCHEMBL209841 0.87 MAPK1 (0.40) F10F2F5CCR1TSHR
SCHEMBL5437564 0.87 L3MBTL1 (0.46) F10F2F5CCR1TSHR
SCHEMBL4268193 0.87 SMN1; SMN2 (0.45) F10F2F5CCR1TSHR
SCHEMBL4268198 0.87 SMN1; SMN2 (0.45) F10F2F5CCR1TSHR
SCHEMBL209753 0.87 IDO1 (0.40) F10F2F5CCR1TSHR

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 5 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
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 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.