SCHEMBL3896604

SCHEMBL3896604

COC(=O)c1c(CC(C)C)nc2ccc(Br)cc2c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.61
PRNP P04156 1/20 0.55
PPARG P37231 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
PLA2G2A P14555 1/20 0.46
PTGFR P43088 5/20 0.45
CYP3A4 P08684 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
MAPK8 P45983 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2822202 0.88 ALDH1A1 (0.67) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3893219 0.87 PLA2G2A (0.62) DPP4SMN1; SMN2PLA2G2AFABP3FABP4
SCHEMBL27703968 0.80 DPP4 (0.64) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3903825 0.80 DPP4 (0.69) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3895184 0.78 DPP4 (0.78) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL4702784 0.78 DPP4 (0.67) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3903831 0.78 DPP4 (0.61) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL5179728 0.77 DPP4 (0.80) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL3903059 0.76 DPP4 (1.00) DPP4
SCHEMBL5178042 0.76 DPP4 (0.73) DPP4PRNPPPARGRXFP1NR2E3

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
US-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B8 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-10-29 EP disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1527049-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2005-05-04 EP disclosed
WO-2004014860-A2 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR DPP4 13/4885PRNP 4039/4885PPARG 1742/4885

“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.