SCHEMBL5523722

SCHEMBL5523722

N#CCNC(=O)C(CC1CCCCC1)C(=O)N1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.51
CTSB P07858 3/20 0.51
CTSS P25774 3/20 0.51
CTSK P43235 3/20 0.51
NPSR1 Q6W5P4 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RGS12 O14924 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 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
SCHEMBL5524295 0.95 NPSR1 (0.50) CTSLCTSBCTSSCTSKNPSR1
SCHEMBL5520854 0.85 NPC1 (0.53) NPSR1MAPTLMNASMN1; SMN2NPC1
SCHEMBL5525515 0.84 CTSL (0.58) CTSLCTSBCTSSCTSKNPSR1
SCHEMBL5673917 0.80 POLB (0.47) NPSR1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5525546 0.80 NPSR1 (0.61) NPSR1MAPTLMNASMN1; SMN2NPC1
SCHEMBL5520634 0.75 CTSK (0.60) CTSLCTSBCTSSCTSKNPC1
SCHEMBL5526343 0.75 CTSK (0.60) CTSLCTSBCTSSCTSKMAPT
SCHEMBL5526359 0.75 CTSK (0.60) CTSLCTSBCTSSCTSK
SCHEMBL5530376 0.74 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL5528697 0.73 CTSK (0.57) CTSLCTSBCTSSCTSKSMN1; SMN2

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 CTSL 11/4885CTSB 2/4885CTSS 1/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSL 19/4885CTSB 7/4885CTSS 2/4885

“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.