SCHEMBL4043904

SCHEMBL4043904

COc1ccc(CC(N)C(=O)N2CCC3C2C(=O)CN3C(=O)Cc2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.44
FAP Q12884 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
MAPT P10636 1/20 0.43
SLC18A3 Q16572 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.39
HSD17B10 Q99714 1/20 0.39
C3AR1 Q16581 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 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
SCHEMBL4043491 0.91 DPP4 (0.48) DPP4FAPDPP8DPP9DPP7
SCHEMBL4040172 0.90 DPP4 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL4047662 0.86 CTSK (0.41) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL4039215 0.86 DPP4 (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL4039947 0.85 TNKS (0.38) DPP4MAPTKMT2A
SCHEMBL4044857 0.85 DPP4 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL4044640 0.84 DPP4 (0.41) DPP4ALDH1A1POLBMEN1KMT2A
SCHEMBL4039940 0.84 PARP1 (0.39) DPP4ALDH1A1C3AR1MEN1KMT2A
SCHEMBL4041149 0.84 ITGA4 (0.39) MAPTALDH1A1F2CHRNA7
SCHEMBL4044931 0.84 CTSK (0.54) MAPTSLC18A3ALDH1A1F2CHRNB2

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 5 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
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 DPP4 3448/4885FAP 3455/4885DPP8 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.