SCHEMBL5236092

SCHEMBL5236092

CCCCOc1c(N(C)C(=O)O)n(CC(C)C)c(=O)c2ccc(-c3nc(C#N)cs3)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.33
RXRA P19793 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE4A P27815 1/20 0.32
BLVRB P30043 1/20 0.32
XDH P47989 1/20 0.32
TARBP2 Q15633 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.31
SREBF2 Q12772 1/20 0.31
PIK3CA P42336 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31

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
SCHEMBL5236363 0.90 PDE5A (0.35) DPP4RXRAMEN1KMT2APIK3CA
SCHEMBL5234423 0.88 DPP4 (0.35) DPP4PIK3CA
SCHEMBL5239150 0.86 XDH (0.39) DPP4ABCC4ABCB11PGRCHRM1
SCHEMBL5238655 0.85 DPP4 (0.45) DPP4
SCHEMBL6109020 0.84 DPP4 (0.34) DPP4RXRAATP4AATP4BSREBF2
SCHEMBL5236088 0.84 DPP4 (0.36) DPP4MEN1KMT2A
SCHEMBL300196 0.83 DPP4 (0.44) DPP4
SCHEMBL5237708 0.82 DPP4 (0.46) DPP4KMT2A
Hydrochloric Acid SCHEMBL5240590 0.82 DPP4 (0.45) DPP4
SCHEMBL5237315 0.81 DPP4 (0.42) DPP4

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 2/4885RXRA 2057/4885ABCC4 1267/4885

“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.