SCHEMBL5233222

SCHEMBL5233222

COc1c(CCl)n(C)c(=O)c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
ABCB11 O95342 1/20 0.44
GABRA1 P14867 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
CYP3A4 P08684 3/20 0.39
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 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
SCHEMBL5232364 0.94 DPP4 (0.49) DPP4ABCB11GABRA1GABRG2GABRB3
SCHEMBL5236325 0.87 ABCB11 (0.47) DPP4ABCB11GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL5240978 0.86 DPP4 (0.56) DPP4ABCB11CYP3A4TDP1
SCHEMBL5241273 0.82 DPP4 (0.48) DPP4ABCB11GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL5237333 0.81 DPP4 (0.60) DPP4ABCB11GABRA1GABRG2GABRB3
SCHEMBL5236241 0.80 PDE10A (0.46) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5236683 0.79 DPP4 (0.45) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5237536 0.78 DPP4 (0.44) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5238796 0.77 DPP4 (0.58) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5237225 0.76 ABCB11 (0.50) DPP4ABCB11GABRA1GABRG2GABRB3

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 2/4885ABCB11 1946/4885GABRA1 3124/4885

“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.