SCHEMBL6110261

SCHEMBL6110261

COc1ccc(-c2c(CN(C(=O)O)C(C)(C)C)n(C)c(=O)c3ccc(Cl)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.53
KCNH2 Q12809 1/20 0.53
DPP4 P27487 9/20 0.51
TACR1 P25103 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAP2 P11137 1/20 0.40
PLA2G2A P14555 1/20 0.39
AKR1B10 O60218 1/20 0.39

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
SCHEMBL6108085 0.88 DPP4 (0.53) KCNA5KCNH2DPP4TACR1CYP3A4
SCHEMBL6107908 0.86 TACR1 (0.54) KCNA5KCNH2DPP4TACR1
SCHEMBL6106862 0.82 DPP4 (0.53) KCNA5KCNH2DPP4TACR1MAPK8
SCHEMBL5240310 0.82 DPP4 (0.57) KCNA5KCNH2DPP4CA1CA2
SCHEMBL6107274 0.82 DPP4 (0.55) KCNA5KCNH2DPP4TACR1MAPK8
SCHEMBL5238796 0.81 DPP4 (0.58) KCNA5KCNH2DPP4CA1CA2
SCHEMBL7174997 0.81 DPP4 (0.54) KCNA5KCNH2DPP4TACR1CA1
SCHEMBL7006788 0.80 DPP4 (0.74) KCNA5KCNH2DPP4CA1CA2
Hydrochloric Acid SCHEMBL5240250 0.79 DPP4 (0.72) KCNA5KCNH2DPP4CA1CA2
SCHEMBL6106984 0.79 DPP4 (0.49) KCNA5KCNH2DPP4TACR1

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
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

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 KCNA5 1288/4885KCNH2 995/4885DPP4 2/4885

“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.