SCHEMBL5236115

SCHEMBL5236115

CCCCOc1c(N(C)C(=O)O)n(CC(C)C)c(=O)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.43
EDNRA P25101 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALOX5 P09917 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
BCHE P06276 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL5236344 0.91 DPP4 (0.40) DPP4EDNRAHRH3KCNH2MCHR1
SCHEMBL27581917 0.90 DPP4 (0.40) DPP4EDNRAHRH3ALOX5LTB4R
SCHEMBL5239421 0.88 PLA2G2D (0.39) ALOX5LTB4RLTB4R2KCNH2MCHR1
SCHEMBL5234286 0.87 KMT2A (0.40) HRH3ALOX5LTB4RLTB4R2CYP2D6
SCHEMBL5237505 0.87 DPP4 (0.44) DPP4
SCHEMBL5234205 0.86 DPP4 (0.54) DPP4
SCHEMBL5237315 0.86 DPP4 (0.42) DPP4
SCHEMBL5270279 0.86 PGR (0.42) DPP4
SCHEMBL5236141 0.85 DPP4 (0.54) DPP4
SCHEMBL5239642 0.85 DPP4 (0.45) DPP4EDNRAHRH3LTB4RLTB4R2

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 2/4885EDNRA 948/4885HRH3 764/4885

“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.