SCHEMBL5235448

SCHEMBL5235448

CCCCOc1c(CO)n(C)c(=O)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.44
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
NR1H2 P55055 1/20 0.40
RORB Q92753 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OXER1 Q8TDS5 2/20 0.37
GSK3B P49841 4/20 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
SCHEMBL5237699 0.94 DPP4 (0.44) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5237536 0.89 DPP4 (0.44) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5233023 0.88 DPP4 (0.49) DPP4GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL5234186 0.87 DPP4 (0.54) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5236317 0.86 THRB (0.35) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL5239251 0.84 DPP4 (0.49) DPP4OXER1
SCHEMBL5241273 0.83 DPP4 (0.48) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5236683 0.82 DPP4 (0.45) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5235354 0.82 GABRA1 (0.46) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5234673 0.81 DPP4 (0.50) DPP4ALDH1A1TDP1L3MBTL1

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 5 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-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.