SCHEMBL5968643

SCHEMBL5968643

N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)cccc1=O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73
OPRM1 P35372 1/20 0.73
OPRK1 P41145 1/20 0.73
CYP3A4 P08684 1/20 0.62

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
SCHEMBL5968644 1.00 DPP4 (0.73) DPP4OPRM1OPRK1CYP3A4
SCHEMBL386746 0.87 DPP4 (0.92) DPP4OPRM1OPRK1
SCHEMBL386747 0.87 DPP4 (0.92) DPP4OPRM1OPRK1
SCHEMBL28890829 0.84 DPP4 (0.85) DPP4OPRM1OPRK1
Alogliptin SCHEMBL29352995 0.84 DPP4 (1.00) DPP4OPRM1OPRK1
Alogliptin SCHEMBL121028 0.84 DPP4 (1.00) DPP4OPRM1OPRK1
Alogliptin SCHEMBL17036596 0.84 DPP4 (1.00) DPP4OPRM1OPRK1
Alogliptin SCHEMBL174188 0.84 DPP4 (1.00) DPP4OPRM1OPRK1
SCHEMBL8429011 0.84 DPP4 (0.72) DPP4OPRM1OPRK1
SCHEMBL5968476 0.84 DPP4 (0.72) DPP4OPRM1OPRK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697342-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP claimed
WO-2005030751-A2 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-07 WO claimed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
EP-1697342-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
WO-2005030751-A2 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-07 WO disclosed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US disclosed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US disclosed
US-20050065144-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 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-20050065144-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885OPRM1 1717/4885OPRK1 1614/4885

“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.