SCHEMBL6355388

SCHEMBL6355388

CC(C)CC(N)C(=O)NC1CCN(C)N(C(=O)c2ccccn2)CC1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.39
CACNA1B Q00975 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM5A P29375 1/20 0.35
PDE5A O76074 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
BTK Q06187 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
CIT O14578 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL6356870 0.82 CTSK (0.48) CTSKCTSLCTSS
SCHEMBL6355386 0.81 PDE5A (0.37) EPHX2L3MBTL1KDM5APDE5APDE4B
SCHEMBL4686499 0.74 CTSK (0.49) CTSKCACNA1BCTSLCTSS
SCHEMBL5971807 0.74 CTSK (0.49) CTSKCACNA1BCTSLCTSS
SCHEMBL4314725 0.73 CTSK (0.49) CTSKCACNA1BCTSLCTSS
SCHEMBL4309296 0.73 CTSK (0.49) CTSKCACNA1BCTSLCTSS
SCHEMBL4328362 0.73 CTSK (0.49) CTSKCACNA1BCTSLCTSS
SCHEMBL4312628 0.73 CTSK (0.49) CTSKCACNA1BCTSLCTSS
SCHEMBL4319070 0.73 CTSK (0.49) CTSKCACNA1BCTSLCTSS
SCHEMBL6466408 0.72 CTSK (0.43) CTSKCACNA1BLARS1

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-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide JEONG JAE U 2005-11-17 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-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide PRSS1, SPINT2, CTRL CTSK 39/4885CACNA1B 3484/4885CTSL 37/4885

“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.