SCHEMBL5639484

SCHEMBL5639484

Cn1c(=O)n(CCC2OCCCO2)c(=O)c2c1nc(N1CCCNCC1)n2Cc1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAP Q12884 5/20 0.46
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL5639822 0.98 DPP4 (0.55) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5640246 0.98 DPP4 (0.56) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5639656 0.94 DPP4 (0.58) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5640762 0.88 DPP4 (0.60) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5642182 0.87 DPP4 (0.57) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL7009156 0.87 DPP4 (0.57) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5641802 0.87 DPP4 (0.59) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5642136 0.87 ALDH1A1 (0.61) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5640660 0.87 DPP4 (0.53) DPP4L3MBTL1ALDH1A1MEN1USP2
SCHEMBL5639355 0.86 DPP4 (0.53) DPP4L3MBTL1ALDH1A1MEN1USP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US claimed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP claimed
EP-1301187-B1 PURINE-2,6-DIONES WHICH ARE INHIBITORS OF THE ENZYME DIPEPTIDYL PEPTIDASE IV (DPP-IV) NOVO NORDISK AS (DK) 2005-07-06 EP claimed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 US claimed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
EP-1561752-A1 Heterocyclic compounds that are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2005-08-10 EP disclosed
US-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2002-10-31 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-20020161001-A1 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV DPP4, DPP7, DPP3 DPP4 1/4885L3MBTL1 1646/4885ALDH1A1 360/4885

“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.