SCHEMBL4040766

SCHEMBL4040766

CC(C[CH]C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.40
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SNRNP200 O75643 5/20 0.35
PDE5A O76074 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL4048376 0.87 CTSK (0.51) CTSKCTSSALDH1A1
SCHEMBL4039452 0.85 CTSK (0.32) CTSKSNRNP200PDE5APDE4BPDE7A
SCHEMBL4044693 0.85 CTSK (0.42) CTSKCTSSALDH1A1CCR8KCNH2
SCHEMBL4044468 0.84 L3MBTL1 (0.38) CTSKCTSLCTSSL3MBTL1ADRA1D
SCHEMBL4043000 0.84 CTSK (0.38) CTSKCTSLCTSSL3MBTL1ADRA1D
SCHEMBL4050761 0.84 PIK3CD (0.42) CTSKL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL4041823 0.82 CTSK (0.39) CTSKCTSLCTSS
SCHEMBL4044247 0.81 CTSK (0.39) CTSKALDH1A1
SCHEMBL4041682 0.81 CTSK (0.33) CTSKCTSLCTSSL3MBTL1ADRA1D
SCHEMBL4042992 0.81 CTSK (0.39) CTSKL3MBTL1ALDH1A1LMNAHTT

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 2/4885CTSL 57/4885CTSS 3/4885

“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.