SCHEMBL5528340

SCHEMBL5528340

CN(C#N)C(=O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 10/20 0.48
CTSB P07858 5/20 0.47
CTSH P09668 2/20 0.47
CHRNB2 P17787 5/20 0.45
CHRNB4 P30926 5/20 0.45
CHRNA3 P32297 5/20 0.45
CHRNA4 P43681 5/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRM1 Q13255 2/20 0.45
USP30 Q70CQ3 2/20 0.42

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
SCHEMBL5529190 1.00 CTSL (0.48) CTSLCTSSCTSKCTSBCTSH
SCHEMBL5526860 0.86 CTSK (0.50) CTSLCTSSCTSKCTSBCTSH
SCHEMBL5523001 0.84 CTSK (0.51) CTSLCTSSCTSKCTSBCTSH
SCHEMBL5523059 0.81 CTSS (0.53) CTSLCTSSCTSKCTSBCTSH
SCHEMBL5527109 0.81 CTSK (0.48) CTSLCTSSCTSKCTSBCTSH
SCHEMBL5528178 0.81 CTSK (0.48) CTSLCTSSCTSKCTSBCTSH
SCHEMBL7585541 0.80 CTSK (0.50) CTSLCTSSCTSKCTSBCTSH
SCHEMBL5525335 0.78 CTSL (0.69) CTSLCTSSCTSKCTSBCHRNB2
SCHEMBL5530441 0.78 CTSL (0.69) CTSLCTSSCTSKCTSBCHRNB2
SCHEMBL5523065 0.77 CTSS (0.49) CTSLCTSSCTSKCTSBCTSH

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US disclosed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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 (2 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885

“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.