SCHEMBL5236382

SCHEMBL5236382

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A43 Q9HB55 1/20 0.35
NR1H2 P55055 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
APP P05067 1/20 0.31
TLR7 Q9NYK1 3/20 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
SCHEMBL5236373 1.00 DPP4 (0.40) DPP4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL5236103 0.93 CYP1A1 (0.36) DPP4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL5236095 0.93 CYP1A1 (0.36) DPP4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL7564209 0.86 DPP4 (0.50) DPP4KDM4EALDH1A1NPC1HPGD
Hydrochloric Acid SCHEMBL5237626 0.86 DPP4 (0.51) DPP4KDM4EALDH1A1NPC1HPGD
Hydrochloric Acid SCHEMBL5237614 0.86 DPP4 (0.51) DPP4KDM4EALDH1A1NPC1HPGD
SCHEMBL7004716 0.85 CYP1A1 (0.38) DPP4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL5238832 0.84 DPP4 (0.43) DPP4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL5238822 0.84 DPP4 (0.43) DPP4CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL5232143 0.83 KDM4E (0.37) DPP4CYP1A1CYP2D6CYP2B6CYP2C19

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 3 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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US 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 2/4885CYP1A1 170/4885CYP2D6 992/4885

“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.