SCHEMBL4042535

SCHEMBL4042535

CC(=O)N1CCCC1C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.58
CTSS P25774 1/20 0.45
STAT3 P40763 4/20 0.40
PPID Q08752 1/20 0.40
PPIG Q13427 1/20 0.40
POLB P06746 1/20 0.39
ACE P12821 1/20 0.39
CAPN1 P07384 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL4040843 0.97 CTSK (0.57) CTSKCTSSSTAT3PPIDPPIG
SCHEMBL4041652 0.91 CTSK (0.57) CTSKCTSSSTAT3ACEMEN1
SCHEMBL4038796 0.91 CTSK (0.71) CTSKCTSSSTAT3ACEMEN1
SCHEMBL5941389 0.90 CTSK (0.71) CTSKCTSSSTAT3ACECAPN1
SCHEMBL4217216 0.90 CTSK (0.71) CTSKCTSSSTAT3ACECAPN1
SCHEMBL4222930 0.90 CTSK (0.71) CTSKCTSSSTAT3ACECAPN1
SCHEMBL4044347 0.90 CTSK (0.71) CTSKCTSSSTAT3ACECAPN1
SCHEMBL4039636 0.89 CTSK (0.57) CTSKCTSS
SCHEMBL4045507 0.89 CTSK (0.60) CTSKCTSSSTAT3ACECAPN1
SCHEMBL4041280 0.89 CTSK (0.70) CTSKCTSSSTAT3ACEMEN1

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 18 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
JP-2007500165-A 2007-01-11 JP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1648445-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2005013977-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
EP-1660131-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-05-31 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1648468-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
EP-1648445-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014000-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005013977-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 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 3/4885STAT3 3748/4885

“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.