SCHEMBL5237708

SCHEMBL5237708

CCCCOc1c(N(C)C(=O)O)n(CC(C)C)c(=O)c2ccc(C#N)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.46
TLR7 Q9NYK1 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CXCR3 P49682 1/20 0.33
ALK Q9UM73 1/20 0.33
CACNA2D1 P54289 1/20 0.33
RORC P51449 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
SCHEMBL5239386 0.88 DPP4 (0.35) DPP4TLR7TDP1CXCR3CACNA2D1
SCHEMBL5237505 0.86 DPP4 (0.44) DPP4TLR7TDP1KDM4EKMT2A
SCHEMBL5236379 0.85 DPP4 (0.43) DPP4TDP1KDM4EKMT2ATSHR
SCHEMBL5270279 0.85 PGR (0.42) DPP4TDP1KDM4EKMT2ATSHR
SCHEMBL5237435 0.85 DPP4 (0.38) DPP4TDP1KDM4EKMT2ATSHR
SCHEMBL5231346 0.85 ALDH1A1 (0.41) DPP4KDM4EKMT2A
SCHEMBL5234735 0.84 DPP4 (0.37) DPP4TDP1KDM4EKMT2ATSHR
SCHEMBL5236554 0.84 DPP4 (0.48) DPP4KDM4EKMT2A
SCHEMBL5237315 0.84 DPP4 (0.42) DPP4TDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL5236092 0.82 DPP4 (0.33) DPP4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885TLR7 2033/4885TDP1 2695/4885

“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.