SCHEMBL6791430

SCHEMBL6791430

CC(C)CC(N)C(=O)NC(C)(C)C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.51
CTSS P25774 4/20 0.49
SLC7A5 Q01650 1/20 0.42
CTSK P43235 3/20 0.40
ANPEP P15144 2/20 0.40
RNPEP Q9H4A4 2/20 0.40
DNPEP Q9ULA0 1/20 0.40
DPP4 P27487 4/20 0.38
CTSL P07711 2/20 0.38
LARS1 Q9P2J5 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CTSB P07858 1/20 0.36
SCN9A Q15858 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
SCHEMBL7412904 0.80 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL7412900 0.80 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPLARS1
Hydrochloric Acid SCHEMBL7384486 0.78 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL27532729 0.77 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL3160891 0.77 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL5525487 0.76 CTSS (0.62) CTSSCTSKCTSLCTSB
SCHEMBL14283749 0.76 CTSS (0.62) CTSCCTSSCTSKCTSLCTSB
SCHEMBL13571315 0.75 CTSS (0.43) CTSCCTSSCTSKDPP4CTSL
SCHEMBL24155348 0.75 SLC7A5 (0.45) SLC7A5ANPEPRNPEPDNPEPLARS1
SCHEMBL29981834 0.75 SLC7A5 (0.50) CTSSSLC7A5CTSKANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS CTSC 9/4885CTSS 3/4885SLC7A5 123/4885

“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.