SCHEMBL4044728

SCHEMBL4044728

CC(C)CC(N)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
CTSK P43235 11/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 9/20 0.35
CTSS P25774 7/20 0.35
CTSB P07858 4/20 0.35
CTSV O60911 2/20 0.35
HRH1 P35367 1/20 0.34
SLC6A15 Q9H2J7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
PARP1 P09874 1/20 0.34
CNR2 P34972 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
SCHEMBL4046221 0.90 DPP4 (0.40) DPP4CTSKDPP8DPP9DPP7
SCHEMBL4042163 0.90 DPP4 (0.40) DPP4CTSKDPP8DPP7CTSL
SCHEMBL4042325 0.89 DPP4 (0.40) DPP4CTSKKMT2ACTSLCTSS
SCHEMBL4041763 0.87 CTSK (0.45) DPP4CTSKDPP8DPP9DPP7
SCHEMBL4042575 0.87 DPP4 (0.41) DPP4CTSKKMT2ACTSLCTSS
SCHEMBL4042026 0.86 DPP4 (0.46) DPP4
SCHEMBL4038911 0.86 DPP4 (0.43) DPP4DPP8DPP9DPP7SMN1; SMN2
SCHEMBL4044945 0.85 DPP4 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL4040449 0.85 DPP4 (0.43) DPP4DPP8DPP9DPP7PARP1
SCHEMBL4051552 0.84 CTSK (0.58) CTSKKMT2ACTSLCTSSCTSB

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 DPP4 3448/4885CTSK 2/4885DPP8 947/4885

“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.