SCHEMBL5518353

SCHEMBL5518353

N#CCNC(=O)C(CNC(=O)N1CCOCC1)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.52
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL5523347 0.85 MAPT (0.51) CTSSCTSKCTSLCTSBNPC1
SCHEMBL5518350 0.77 CTSS (0.62) CTSSCTSKCTSLCTSB
SCHEMBL6744961 0.73 CTSS (0.48) CTSSCTSKCTSLCTSB
SCHEMBL5517777 0.73 CTSS (0.48) CTSSCTSKCTSLCTSBHTT
SCHEMBL5520661 0.70 CTSS (0.46) CTSSCTSKCTSLCTSBMEN1
SCHEMBL5523888 0.70 CTSS (0.52) CTSSCTSKCTSLCTSBHTT
SCHEMBL6737807 0.70 CTSS (0.52) CTSSCTSKHTT
SCHEMBL5521867 0.69 ADRB1 (0.47) CTSSCTSKCTSLCTSBMEN1
SCHEMBL6740690 0.69 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL7240074 0.69 CTSS (1.00) CTSSCTSKCTSLCTSB

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 5 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
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CTSS 10/4885CTSK 32/4885CTSL 14/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSL 14/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSL 14/4885

“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.