SCHEMBL4043803

SCHEMBL4043803

CC(C)CC(CC(=O)N1CCNCC1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.42
CTSS P25774 3/20 0.39
CTSL P07711 2/20 0.39
SNRNP200 O75643 6/20 0.37
SIRT5 Q9NXA8 1/20 0.35
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM5A P29375 1/20 0.33
PDE5A O76074 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL4042637 0.91 CTSK (0.43) CTSKCTSSCTSLSNRNP200SIRT5
SCHEMBL4041880 0.90 CTSK (0.42) CTSKCTSSCTSLSNRNP200DPP4
SCHEMBL4040993 0.89 CTSK (0.43) CTSKCTSSCTSLDPP4DPP9
SCHEMBL4040009 0.87 CTSK (0.42) CTSKCTSSCTSLL3MBTL1KDM4E
SCHEMBL4041553 0.87 CTSK (0.41) CTSKCTSSCTSLSNRNP200SIRT5
SCHEMBL4041733 0.87 CTSK (0.34) CTSKCTSSCTSLSNRNP200SIRT5
SCHEMBL4042730 0.85 CTSK (0.40) CTSKCTSSCTSLSNRNP200SIRT5
SCHEMBL4044086 0.84 CTSK (0.40) CTSKCTSSCTSL
SCHEMBL4044115 0.82 CTSK (0.34) CTSKCTSSCTSLDPP4KDM4E
SCHEMBL4041131 0.81 PAX8 (0.38) CTSKDPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (1 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSL 57/4885

“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.