SCHEMBL5232983

SCHEMBL5232983

CCCCOc1c(CNC(=O)O)n(CC(C)C)c(=O)c2ccc(-c3ccco3)cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NR4A2 P43354 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
SCHEMBL5237311 0.88 DPP4 (0.46) DPP4
SCHEMBL5236547 0.87 CYP3A4 (0.41) DPP4
Hydrochloric Acid SCHEMBL5233286 0.85 DPP4 (0.46) DPP4
SCHEMBL6107770 0.84 DPP4 (0.37) DPP4CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL5231896 0.83 METAP2 (0.42) DPP4
SCHEMBL5237560 0.83 GAA (0.39) DPP4ALDH1A1SMN1; SMN2GAA
SCHEMBL5237501 0.83 DPP4 (0.48) DPP4CNR2
SCHEMBL5237428 0.83 DPP4 (0.42) DPP4
SCHEMBL5232988 0.82 CNR2 (0.36) DPP4CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL5270276 0.82 PGR (0.41) 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 2/4885CNR1 2722/4885CNR2 3755/4885

“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.