SCHEMBL5234035

SCHEMBL5234035

CCCCOc1c(N(C)C(=O)O)n(CC2CC2)c(=O)c2ccc(C=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 1/20 0.33
CNR2 P34972 6/20 0.33
GSK3B P49841 1/20 0.33
MAPK8 P45983 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PLA2G2A P14555 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 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
SCHEMBL5234024 0.88 ALDH1A1 (0.35) AVPR1BCNR2GSK3BMAPK8SMN1; SMN2
SCHEMBL5234701 0.87 MAPK8 (0.44) AVPR1BCNR2GSK3BMAPK8SMN1; SMN2
SCHEMBL5238621 0.86 PGR (0.39) AVPR1BCNR2MAPK8SMN1; SMN2HRH2
SCHEMBL5234735 0.86 DPP4 (0.37) SMN1; SMN2ALDH1A1KDM4EHSD17B10TDP1
SCHEMBL5239411 0.85 PTGER4 (0.32) ALDH1A1KDM4EHSD17B10NPSR1PTGER4
SCHEMBL5234611 0.84 DPP4 (0.42) AVPR1BSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL5234366 0.84 ALDH1A1 (0.33) AVPR1BCNR2SMN1; SMN2HIF1AHRH2
SCHEMBL5234286 0.83 KMT2A (0.40) AVPR1BCNR2SMN1; SMN2HRH1ALDH1A1
SCHEMBL6109025 0.82 GSK3B (0.32) AVPR1BGSK3BMAPK8HIF1A
SCHEMBL5234032 0.81 AVPR1B (0.35) AVPR1BCNR2GSK3BMAPK8SMN1; SMN2

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 AVPR1B 1020/4885CNR2 3755/4885GSK3B 4339/4885

“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.