SCHEMBL5518458

SCHEMBL5518458

N#CCNC(=O)C(CC1CCCCC1)C(=O)NCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSK P43235 4/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 1/20 0.53
METAP2 P50579 3/20 0.46
METAP1 P53582 3/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRM1 Q13255 1/20 0.46
ACP3 P15309 2/20 0.44
P2RX7 Q99572 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.42
ANPEP P15144 1/20 0.41

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
SCHEMBL5534127 0.89 CHRNB2 (0.50) CTSSMETAP2METAP1CHRNB2CHRNB4
SCHEMBL5520634 0.86 CTSK (0.60) CTSSCTSKCTSLCTSBMETAP2
SCHEMBL5522927 0.83 MEN1 (0.55) CTSSCTSKCTSLCTSBMEN1
SCHEMBL5526359 0.79 CTSK (0.60) CTSSCTSKCTSLCTSBMETAP2
SCHEMBL5526343 0.79 CTSK (0.60) CTSSCTSKCTSLCTSBMEN1
SCHEMBL5522902 0.78 CTSL (0.51) CTSSCTSKCTSLCTSBMAPT
SCHEMBL7356908 0.78 METAP2 (0.70) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL5525396 0.77 CTSL (0.50) CTSSCTSKCTSLCTSBMAPT
SCHEMBL5528697 0.77 CTSK (0.57) CTSSCTSKCTSLCTSB
Hydrochloric Acid SCHEMBL7355712 0.77 METAP2 (0.69) METAP2METAP1CHRNB2CHRNB4CHRNA3

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 CTSS 1/4885CTSK 8/4885CTSL 11/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSS 2/4885CTSK 14/4885CTSL 19/4885

“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.