SCHEMBL5239136

SCHEMBL5239136

CCCCOc1c(C(=O)O)n(CC2CC2)c(=O)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CYP2D6 P10635 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
AVPR1B P47901 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MDH2 P40926 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL5238491 0.87 MAPK8 (0.42) MAPK8CNR1CNR2CYP2D6HRH1
SCHEMBL5234286 0.86 KMT2A (0.40) CNR1CNR2CYP2D6HRH1HRH3
SCHEMBL5239642 0.86 DPP4 (0.45) MAPK8HRH3ALDH1A1SMN1; SMN2HPGD
SCHEMBL5236304 0.85 CYP2D6 (0.41) CNR1CNR2CYP2D6HRH1HRH3
SCHEMBL5234276 0.85 AVPR1B (0.42) CNR1CNR2CYP2D6HRH1HRH3
SCHEMBL5233462 0.85 PLA2G2D (0.41) MAPK8ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5235048 0.84 MAPK8 (0.55) MAPK8CNR2ALDH1A1LMNAKDM4E
SCHEMBL6108742 0.82 AVPR1B (0.37) CNR1CNR2CYP2D6HRH1HRH3
SCHEMBL6108743 0.82 KMT2A (0.38) CNR1CNR2CYP2D6HRH1HRH3
SCHEMBL6108734 0.82 AVPR1B (0.38) CNR1CNR2CYP2D6HRH1HRH3

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 4 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
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO 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 MAPK8 2612/4885CNR1 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.