SCHEMBL4921664

SCHEMBL4921664

N[C@@H]1CCCN(c2cn(Cc3ccccc3I)c(=O)[nH]c2=O)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.46
MAPK1 P28482 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL390293 0.76 DPP4 (0.77) DPP4OPRM1OPRK1
SCHEMBL390089 0.76 DPP4 (0.77) DPP4OPRM1OPRK1
SCHEMBL8234532 0.67 DPP4 (0.53) DPP4OPRM1OPRK1
SCHEMBL1458474 0.65 DPP4 (0.78) DPP4
SCHEMBL386356 0.65 DPP4 (0.70) DPP4OPRM1OPRK1
SCHEMBL386355 0.65 DPP4 (0.70) DPP4OPRM1OPRK1
SCHEMBL11908439 0.64 KEAP1 (0.59) DPP4PIM1PIM3PIM2
SCHEMBL12517572 0.64 DPP4 (0.78) DPP4
SCHEMBL13896890 0.63 DPP4 (0.77) DPP4
SCHEMBL386733 0.63 DPP4 (1.00) DPP4OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FENG JUN 2008-05-08 US claimed

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-20080108808-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP4, DPP3, DPP9 DPP4 1/4885MAPK1 4356/4885PIM1 1308/4885

“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.