SCHEMBL4040172

SCHEMBL4040172

NC(Cc1ccc(F)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.43
DPP8 Q6V1X1 4/20 0.43
DPP9 Q86TI2 4/20 0.43
DPP7 Q9UHL4 4/20 0.43
FAP Q12884 3/20 0.43
TACR1 P25103 1/20 0.38
SLC18A3 Q16572 1/20 0.37
GAA P10253 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
C3AR1 Q16581 1/20 0.36

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 0.92 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL4043904 0.90 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL4039215 0.87 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL4039940 0.86 PARP1 (0.39) DPP4TNKSPARP1PARP2PARP4
SCHEMBL4047662 0.86 CTSK (0.41) DPP4DPP8DPP9DPP7TNKS
SCHEMBL4039947 0.85 TNKS (0.38) DPP4TNKSPARP1PARP2PARP4
SCHEMBL4044370 0.85 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL4044640 0.84 DPP4 (0.41) DPP4TNKSPARP1PARP2PARP4
SCHEMBL4040220 0.84 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL4047936 0.83 C3AR1 (0.39) TNKSPARP1PARP2PARP4PARP3

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 4 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-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

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 3448/4885DPP8 947/4885DPP9 1045/4885

“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.