SCHEMBL4041264

SCHEMBL4041264

CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)CC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.63
CTSS P25774 2/20 0.49
DPP4 P27487 1/20 0.41
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CACNA1B Q00975 1/20 0.36
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL4037975 0.93 CTSK (0.73) CTSKCTSSDPP4POLBCCR1
SCHEMBL4040463 0.92 CTSK (0.63) CTSKCTSSDPP4POLBCCR1
SCHEMBL4042092 0.92 CTSK (0.63) CTSKCTSSPOLBCCR1CACNA1B
SCHEMBL4223446 0.91 CTSK (0.71) CTSKCTSSDPP4POLBCCR1
SCHEMBL4043417 0.91 CTSK (0.61) CTSKCTSSDPP4CTSVCTSL
SCHEMBL5942287 0.91 CTSK (0.71) CTSKCTSSDPP4POLBCCR1
SCHEMBL4223449 0.91 CTSK (0.71) CTSKCTSSDPP4POLBCCR1
SCHEMBL4039017 0.91 CTSK (0.71) CTSKCTSSDPP4POLBCCR1
SCHEMBL4043446 0.91 CTSK (0.62) CTSKCTSSPOLBCCR1CACNA1B
SCHEMBL4041808 0.91 CTSK (0.61) CTSKCTSSPOLBCCR1CACNA1B

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-1838683-B1 A PROCESS FOR THE PREPARATION [1,4,5]-OXADIAZEPINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-29 EP claimed
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
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 3/4885DPP4 3448/4885

“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.