SCHEMBL5237435

SCHEMBL5237435

CCCCOc1c(N(C)C(=O)O)n(CC(C)C)c(=O)c2ccc(N)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.38
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL5237505 0.89 DPP4 (0.44) DPP4TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL5236554 0.88 DPP4 (0.48) DPP4KDM4EKMT2A
SCHEMBL5236379 0.88 DPP4 (0.43) DPP4TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL5270279 0.88 PGR (0.42) DPP4TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL28749803 0.88 DPP4 (0.34) DPP4TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL5230685 0.87 DPP4 (0.32) DPP4TSHRHSD17B10TDP1L3MBTL1
SCHEMBL5231346 0.87 ALDH1A1 (0.41) DPP4KDM4EKMT2ARXRAALDH1A1
SCHEMBL5234205 0.87 DPP4 (0.54) DPP4SMN1; SMN2HSD17B10KDM4EKMT2A
SCHEMBL5231532 0.87 DPP4 (0.41) DPP4KDM4EKMT2ARXRA
SCHEMBL5234735 0.86 DPP4 (0.37) DPP4TSHRSMN1; SMN2HSD17B10TDP1

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP 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 DPP4 2/4885TSHR 2475/4885SMN1; SMN2 4002/4885

“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.