SCHEMBL5534210

SCHEMBL5534210

CCCCN(C)C(=O)C(CC1CCCCC1)C(=O)NCC#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.46
PSEN2 P49810 10/20 0.46
APH1B Q8WW43 10/20 0.46
NCSTN Q92542 10/20 0.46
APH1A Q96BI3 10/20 0.46
PSENEN Q9NZ42 10/20 0.46
CTSK P43235 6/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 3/20 0.44
CTSB P07858 3/20 0.44
REN P00797 1/20 0.40
METAP2 P50579 1/20 0.40
CTSH P09668 1/20 0.38

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
SCHEMBL5529760 0.93 CTSK (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5530609 0.84 CTSK (0.52) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5525962 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5671344 0.83 REN (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5526359 0.81 CTSK (0.60) CTSKCTSSCTSLCTSBMETAP2
SCHEMBL5527029 0.80 CTSK (0.54) CTSKCTSSCTSLCTSBREN
SCHEMBL5523324 0.80 CTSK (0.56) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5530376 0.79 CTSK (0.58) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5518465 0.79 CTSK (0.54) CTSKCTSSCTSLCTSBMETAP2
SCHEMBL5520695 0.79 CTSK (0.55) CTSKCTSSCTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 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 (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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE PSEN1 1245/4885PSEN2 1058/4885APH1B 728/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV PSEN1 4065/4885PSEN2 3710/4885APH1B 3834/4885

“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.