SCHEMBL3893249

SCHEMBL3893249

CC(C)CCc1nc2ccc(O)cc2c(-c2ccccc2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 4/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
ESRRB O95718 3/20 0.38
ESRRA P11474 3/20 0.38
ADORA1 P30542 5/20 0.37
ADORA2A P29274 3/20 0.37
ALOX5 P09917 1/20 0.37
ADORA2B P29275 1/20 0.37
MEN1 O00255 1/20 0.36
PIM1 P11309 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 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
SCHEMBL3906128 0.87 DPP4 (0.43) KDM4EDPP4ESR1ESR2ESRRB
SCHEMBL3895581 0.85 DPP4 (0.45) KDM4EALDH1A1HPGDDPP4ESR1
SCHEMBL3896592 0.84 DPP4 (0.46) KDM4EALDH1A1HPGDDPP4ESR1
SCHEMBL3895920 0.83 ADORA1 (0.40) ESR1ESR2ESRRBESRRAADORA1
SCHEMBL3901308 0.81 DPP4 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2DPP4
SCHEMBL3907064 0.81 PARP1 (0.42) DPP4ESR1ESR2ESRRBESRRA
SCHEMBL3907598 0.80 DPP4 (0.62) KDM4EALDH1A1DPP4MEN1KMT2A
SCHEMBL3899817 0.80 DPP4 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2DPP4
SCHEMBL3895289 0.79 DPP4 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2DPP4
SCHEMBL3905676 0.79 DPP4 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2DPP4

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 KDM4E 2412/4885ALDH1A1 2712/4885HPGD 1469/4885

“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.