SCHEMBL5237306

SCHEMBL5237306

CC(C)Cn1c(CN2C(=O)c3ccccc3C2=O)c(OCCCC(F)(F)F)c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
DPP4 P27487 8/20 0.40
MAOB P27338 2/20 0.37
GRM5 P41594 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
AR P10275 1/20 0.35
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5235472 0.91 NPSR1 (0.46) NPSR1DPP4MAOBGRM5HRH3
SCHEMBL5239033 0.87 DPP4 (0.42) DPP4MAOBHRH3ARCTSV
SCHEMBL5234724 0.87 DPP4 (0.44) DPP4MAOBHRH3AR
SCHEMBL5236338 0.84 DPP4 (0.43) DPP4MAOB
SCHEMBL5239247 0.82 DPP4 (0.42) DPP4MAOBHRH3AR
SCHEMBL5231276 0.82 DPP4 (0.57) NPSR1DPP4
SCHEMBL6106223 0.82 DPP4 (0.41) DPP4MAOB
SCHEMBL5234608 0.81 TSHR (0.40) NPSR1DPP4MAOBGRM5
SCHEMBL5234775 0.81 DPP4 (0.48) NPSR1DPP4GRM5CTSVCTSL
SCHEMBL5239839 0.80 DPP4 (0.57) NPSR1DPP4

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 3 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

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 NPSR1 2290/4885DPP4 2/4885MAOB 1281/4885

“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.