SCHEMBL3745707

SCHEMBL3745707

CN(C)C(=O)c1ccc(NCC2=CCC(c3cc(F)c(F)cc3F)C(N)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.45
DPP8 Q6V1X1 3/20 0.45
DPP9 Q86TI2 3/20 0.45
DPP7 Q9UHL4 3/20 0.42
KDM1A O60341 1/20 0.34
FFAR1 O14842 1/20 0.33
AURKA O14965 1/20 0.33
KCNH2 Q12809 2/20 0.32
POLB P06746 1/20 0.31
MAOA P21397 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL3745703 1.00 DPP4 (0.45) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3745710 1.00 DPP4 (0.45) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3746364 0.88 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3747985 0.88 DPP4 (0.54) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3747993 0.88 DPP4 (0.54) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3746369 0.88 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3746362 0.88 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL4748860 0.87 DPP4 (0.46) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3750717 0.81 DPP4 (0.49) DPP4DPP8DPP9DPP7
SCHEMBL3750722 0.81 DPP4 (0.49) DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US claimed
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.