SCHEMBL3897296

SCHEMBL3897296

CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccs2)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.58
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3894281 0.86 DPP4 (0.58) DPP4
SCHEMBL3892669 0.85 DPP4 (0.76) DPP4
SCHEMBL3901484 0.84 DPP4 (0.61) DPP4
SCHEMBL3907025 0.84 DPP4 (0.74) DPP4
SCHEMBL3893944 0.83 DPP4 (0.75) DPP4
SCHEMBL3893430 0.83 DPP4 (0.60) DPP4KDM4EMEN1ALDH1A1KMT2A
SCHEMBL3896990 0.83 DPP4 (0.74) DPP4
SCHEMBL3906977 0.82 DPP4 (0.75) DPP4
SCHEMBL3904443 0.81 KDM4E (0.40) DPP4KDM4EMEN1ALDH1A1LMNA
SCHEMBL3907598 0.78 DPP4 (0.62) DPP4KDM4EMEN1ALDH1A1KMT2A

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 13/4885KDM4E 2412/4885MEN1 1278/4885

“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.