SCHEMBL5941797

SCHEMBL5941797

CCCC[C@H](N)C(=O)N1CCC2C1[C@@H](O)CN2C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.49
DPP8 Q6V1X1 4/20 0.45
DPP7 Q9UHL4 3/20 0.45
FAP Q12884 2/20 0.45
DPP9 Q86TI2 2/20 0.45
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PIK3CD O00329 1/20 0.37
TACR1 P25103 1/20 0.37
CTSK P43235 2/20 0.36
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC18A3 Q16572 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
SCHEMBL5941840 0.87 CTSK (0.43) DPP4DPP8DPP7FAPDPP9
SCHEMBL4228425 0.87 CTSK (0.43) DPP4DPP8DPP7FAPDPP9
SCHEMBL4228428 0.87 CTSK (0.43) DPP4DPP8DPP7FAPDPP9
SCHEMBL5941794 0.80 PIK3CD (0.39) DPP4DPP8FNTAFNTBPIK3CD
SCHEMBL5941804 0.77 RIPK1 (0.37) PIK3CDCTSKSLC18A3
SCHEMBL4204858 0.73 PPARD (0.34) PIK3CDSLC18A3
SCHEMBL4204854 0.73 PPARD (0.34) PIK3CDSLC18A3
SCHEMBL4221827 0.72 ELANE (0.49)
SCHEMBL4206356 0.71 CTSK (0.73) FAPCTSK
SCHEMBL5941862 0.71 CTSK (0.58) CTSK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 947/4885DPP7 1904/4885

“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.