SCHEMBL6921038

SCHEMBL6921038

CC(C)(C)OC(=O)N[C@@]1(c2ccccc2F)COC[C@H]1CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CTSS P25774 2/20 0.33
SCN9A Q15858 2/20 0.33
EPHX2 P34913 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GHSR Q92847 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PDK2 Q15119 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL12693430 1.00 DPP8 (0.35) DPP8DPP9GAABACE1BACE2
SCHEMBL18517869 0.92 GPR119 (0.34) DPP8DPP9GAACTSSSCN9A
SCHEMBL21527071 0.85 BACE1 (0.36) DPP8DPP9BACE1BACE2CTSS
SCHEMBL16292790 0.83 BACE1 (0.39) BACE1BACE2
SCHEMBL8515221 0.83 BACE1 (0.35) BACE1BACE2EPHX2KMT2AL3MBTL1
SCHEMBL8515218 0.83 BACE1 (0.35) BACE1BACE2EPHX2KMT2AL3MBTL1
SCHEMBL13467314 0.83 DPP8 (0.35) DPP8DPP9GAABACE1BACE2
SCHEMBL12693426 0.83 DPP8 (0.35) DPP8DPP9GAABACE1BACE2
SCHEMBL12693428 0.82 GAA (0.33) DPP8DPP9GAABACE1BACE2
SCHEMBL18517688 0.82 ALDH1A1 (0.39) GAACTSSCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO 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-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES BACE1, APP, BACE2 DPP8 1842/4885DPP9 1221/4885GAA 485/4885

“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.