SCHEMBL6294789

SCHEMBL6294789

CC(C)CC(N)C(=O)NC12CCCC1OCC2=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.32
LARS1 Q9P2J5 2/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC7A5 Q01650 1/20 0.30
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30

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
SCHEMBL6700232 0.82 METAP2 (0.35) AAK1
SCHEMBL6294857 0.74 CTSL (0.47)
SCHEMBL6300344 0.74 EPHX1 (0.33)
SCHEMBL6749612 0.73 LARS1 (0.34) AAK1LARS1SLC7A5
SCHEMBL11917585 0.65 SLC7A5 (0.45) AAK1LARS1SLC7A5ARG1ARG2
SCHEMBL7523273 0.62 CTSK (0.47)
SCHEMBL7375829 0.61 EPHX1 (0.49) DPP4DPP8DPP9DPP7SLC7A5
SCHEMBL7375831 0.61 EPHX1 (0.49) DPP4DPP8DPP9DPP7SLC7A5
SCHEMBL13995144 0.61 EPHX1 (0.53) DPP4DPP8DPP9DPP7SLC7A5
SCHEMBL7442268 0.61 CTSK (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958358-B2 administering a cystatin; 4-tert-Butyl-N-[2-(4-hydroxyphenyl)-1S-(3-oxo-hexahydrocyclopenta[b]furan-3a-ylcarbamoyl)-ethyl]benzamide; bioassay for validation of efficacy ; Chagas' disease; parasiticide, trypanocide AMURA THERAPEUTICS LIMITED (GB) 2005-10-25 US disclosed
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 AAK1 1660/4885LARS1 2218/4885DPP4 398/4885

“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.