SCHEMBL5236344

SCHEMBL5236344

CC(C)Cn1c(N(C)C(=O)O)c(OCCCC(F)(F)F)c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
MAOB P27338 2/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
EDNRA P25101 1/20 0.37
ACHE P22303 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL27581859 0.91 DPP4 (0.38) DPP4MAOBSGMS1SGMS2EDNRA
SCHEMBL5236115 0.91 DPP4 (0.43) DPP4MAOBEDNRAACHEKCNH2
SCHEMBL6106224 0.89 DPP4 (0.38) DPP4MAOBSGMS1SGMS2EDNRA
SCHEMBL5234336 0.88 DPP4 (0.42) DPP4MAOBSGMS1SGMS2
SCHEMBL5235861 0.87 DPP4 (0.50) DPP4MAOBSGMS1SGMS2
SCHEMBL5239247 0.86 DPP4 (0.42) DPP4MAOBEDNRAHRH3
SCHEMBL5234724 0.84 DPP4 (0.44) DPP4MAOBEDNRAHRH3
SCHEMBL6106223 0.84 DPP4 (0.41) DPP4MAOBSGMS1SGMS2EDNRA
SCHEMBL5239033 0.83 DPP4 (0.42) DPP4MAOBHRH3
SCHEMBL27581917 0.83 DPP4 (0.40) DPP4EDNRAHRH3

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 2/4885MAOB 1281/4885SGMS1 4015/4885

“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.