SCHEMBL207922

SCHEMBL207922

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.41
KCNH2 Q12809 2/20 0.40
RAB9A P51151 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
IDO1 P14902 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDO2 P48775 1/20 0.39
CCR1 P32246 1/20 0.39
F10 P00742 3/20 0.38

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
SCHEMBL206636 0.92 IDO1 (0.41) ALDH1A1MAPTIDO1SMN1; SMN2L3MBTL1
SCHEMBL209026 0.91 IDO1 (0.37) ALDH1A1TSHRIDO1SMN1; SMN2L3MBTL1
SCHEMBL210778 0.90 IDO1 (0.42) TSHRRAB9AIDO1L3MBTL1TDO2
SCHEMBL209410 0.89 IDO1 (0.39) ALDH1A1TSHRKCNH2IDO1SMN1; SMN2
SCHEMBL207801 0.89 IDO1 (0.39) TSHRMAPTIDO1L3MBTL1TDO2
SCHEMBL4267724 0.87 IDO1 (0.39) ALDH1A1TSHRIDO1SMN1; SMN2L3MBTL1
SCHEMBL4267730 0.87 IDO1 (0.39) ALDH1A1TSHRIDO1SMN1; SMN2L3MBTL1
SCHEMBL209753 0.87 IDO1 (0.40) TSHRIDO1L3MBTL1TDO2CCR1
SCHEMBL208363 0.87 F10 (0.42) ALDH1A1TSHRIDO1L3MBTL1TDO2
SCHEMBL4269427 0.86 IDO1 (0.38) ALDH1A1TSHRMAPTRAB9AIDO1

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 6 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

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 ALDH1A1 1780/4885TSHR 280/4885MAPT 4836/4885

“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.