SCHEMBL4037909

SCHEMBL4037909

CCCC(NC(=O)c1ccc(C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.55
CTSS P25774 5/20 0.41
CTSL P07711 4/20 0.41
PREP P48147 2/20 0.41
FAP Q12884 2/20 0.41
CCR1 P32246 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSV O60911 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.35
CYP2C19 P33261 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
SCHEMBL4053535 0.94 CTSK (0.59) CTSKCTSSCTSLPREPFAP
SCHEMBL4044295 0.92 CTSK (0.66) CTSKCTSSCTSLPREPFAP
SCHEMBL4041248 0.92 CTSK (0.55) CTSKCTSSCTSLPREPFAP
SCHEMBL4040591 0.91 CTSK (0.53) CTSKCTSSCTSLPREPFAP
SCHEMBL4041590 0.91 CTSK (0.66) CTSKCTSSCTSLPREPFAP
SCHEMBL4045453 0.91 CTSK (0.56) CTSKCTSSCTSLPREPFAP
SCHEMBL4041263 0.91 CTSK (0.66) CTSKCTSSCTSLCCR1MEN1
SCHEMBL4044657 0.91 CTSK (0.52) CTSKCTSSCTSLPREPFAP
SCHEMBL4040279 0.91 CTSK (0.54) CTSKCTSSCTSLPREPFAP
SCHEMBL6210696 0.90 CTSK (0.51) CTSKCTSSCTSLPREPFAP

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-2076496-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (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.