SCHEMBL3428451

SCHEMBL3428451

Cn1nc2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c(=O)c2n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.72
CYP3A4 P08684 3/20 0.69
FAP Q12884 1/20 0.68

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
SCHEMBL3428452 1.00 DPP4 (0.72) DPP4CYP3A4FAP
SCHEMBL8304854 0.89 DPP4 (0.57) DPP4CYP3A4FAP
SCHEMBL3423939 0.84 DPP4 (0.70) DPP4CYP3A4
SCHEMBL3427972 0.84 DPP4 (0.70) DPP4CYP3A4FAP
SCHEMBL8236545 0.84 DPP4 (0.70) DPP4CYP3A4
SCHEMBL3427243 0.84 DPP4 (0.79) DPP4CYP3A4FAP
SCHEMBL3427975 0.84 DPP4 (0.70) DPP4CYP3A4FAP
SCHEMBL3392378 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3392381 0.83 DPP4 (1.00) DPP4CYP3A4
SCHEMBL3387907 0.82 DPP4 (1.00) DPP4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US claimed
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 US disclosed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 US disclosed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 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 (4 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-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 DPP4 2/4885CYP3A4 91/4885FAP 27/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 DPP4 3/4885CYP3A4 226/4885FAP 94/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 DPP4 2/4885CYP3A4 108/4885FAP 112/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 DPP4 2/4885CYP3A4 86/4885FAP 120/4885

“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.