SCHEMBL1995242

SCHEMBL1995242

NCc1c(-c2ccccc2CO)ccc2c1NCCN2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.44
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL2001399 0.83 DPP4 (0.42) DPP4
SCHEMBL2002773 0.80 DPP4 (0.43) DPP4
SCHEMBL14369438 0.80 DPP4 (0.47) DPP4
SCHEMBL1996958 0.77 DPP4 (0.46) DPP4
SCHEMBL1221964 0.67 PDCD1 (0.54) DPP4PDCD1CD274
SCHEMBL3787333 0.62 DPP4 (0.73) DPP4
SCHEMBL29037324 0.62 PDCD1 (0.47) DPP4PDCD1CD274
SCHEMBL3143786 0.61 DPP4 (1.00) DPP4
Lithium Ion SCHEMBL10534528 0.61 PDCD1 (0.48) DPP4PDCD1CD274
SCHEMBL3794284 0.60 ALDH1A1 (0.59) DPP4PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US claimed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US claimed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO claimed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-7960384-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
US-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-10-25 US disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO disclosed
WO-2007112347-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-04 WO 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-20070249611-A1 DIPEPTIDYL PEPTIDASE INHIBITORS DPP3, DPP4, DPP7 DPP4 2/4885PDCD1 2554/4885CD274 3959/4885

“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.