SCHEMBL5528178

SCHEMBL5528178

CCCCC(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)C#N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.48
PSEN1 P49768 8/20 0.46
PSEN2 P49810 8/20 0.46
APH1B Q8WW43 8/20 0.46
NCSTN Q92542 8/20 0.46
APH1A Q96BI3 8/20 0.46
PSENEN Q9NZ42 8/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRM1 Q13255 1/20 0.45
CTSL P07711 5/20 0.44
CTSB P07858 5/20 0.44
CTSH P09668 2/20 0.44
CTSS P25774 2/20 0.44
BDKRB2 P30411 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
SCHEMBL5527109 0.88 CTSK (0.48) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL7585541 0.87 CTSK (0.50) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL5526860 0.83 CTSK (0.50) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL5529190 0.81 CTSL (0.48) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5523001 0.81 CTSK (0.51) CTSKPSEN1PSEN2APH1BNCSTN
SCHEMBL5528340 0.81 CTSL (0.48) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5528182 0.79 CTSK (0.62) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5523059 0.78 CTSS (0.53) CTSKCTSLCTSBCTSHCTSS
SCHEMBL5525335 0.75 CTSL (0.69) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5530441 0.75 CTSL (0.69) CTSKCHRNB2CHRNB4CHRNA3CHRNA4

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 7 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
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 (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 CTSK 32/4885PSEN1 548/4885PSEN2 706/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885PSEN1 548/4885PSEN2 706/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885PSEN1 548/4885PSEN2 706/4885

“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.