SCHEMBL3751547

SCHEMBL3751547

CN(C)C(=O)c1cccc(NC(=O)C2=CCC(c3cc(F)c(F)cc3F)C(N)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.54
DPP8 Q6V1X1 3/20 0.54
DPP9 Q86TI2 2/20 0.54
DPP7 Q9UHL4 2/20 0.41
KDM1A O60341 6/20 0.38
MAOA P21397 6/20 0.38
MAOB P27338 4/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DHODH Q02127 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HTR1F P30939 1/20 0.34

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
SCHEMBL3744688 1.00 DPP4 (0.54) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3751550 1.00 DPP4 (0.54) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3751520 0.88 DPP4 (0.55) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3751514 0.88 DPP4 (0.55) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3751512 0.88 DPP4 (0.55) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3745547 0.88 DPP4 (0.67) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3745540 0.88 DPP4 (0.67) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3745543 0.88 DPP4 (0.67) DPP4DPP8DPP9KDM1AMAOA
SCHEMBL3740397 0.85 DPP4 (0.51) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3740390 0.85 DPP4 (0.51) DPP4DPP8DPP9DPP7KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP claimed
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.