SCHEMBL5237699

SCHEMBL5237699

CCCOc1c(CO)n(C)c(=O)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.44
GABRA1 P14867 7/20 0.39
GABRG2 P18507 7/20 0.39
GABRB3 P28472 7/20 0.39
GABRA5 P31644 7/20 0.39
DHODH Q02127 1/20 0.38
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CLK2 P49760 1/20 0.37
MAPK10 P53779 1/20 0.37
MAP4K2 Q12851 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
NR1H2 P55055 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
SCHEMBL5235448 0.94 DPP4 (0.44) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5236683 0.89 DPP4 (0.45) DPP4GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL5237916 0.86 DPP4 (0.55) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5239251 0.85 DPP4 (0.49) DPP4
SCHEMBL5241273 0.84 DPP4 (0.48) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5237372 0.84 DPP4 (0.42) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5237536 0.82 DPP4 (0.44) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5233023 0.82 DPP4 (0.49) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5234673 0.82 DPP4 (0.50) DPP4LMNAL3MBTL1
SCHEMBL5238007 0.81 DHODH (0.44) DPP4GABRA1GABRG2GABRB3GABRA5

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 6 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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 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 DPP4 2/4885GABRA1 3124/4885GABRG2 3321/4885

“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.