SCHEMBL3739853

SCHEMBL3739853

N[C@@H]1CC(C(=O)Nc2ccccc2)=CC[C@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.55
DPP8 Q6V1X1 3/20 0.52
DPP9 Q86TI2 3/20 0.52
DPP7 Q9UHL4 3/20 0.43
MAOA P21397 13/20 0.43
KDM1A O60341 12/20 0.43
MAOB P27338 10/20 0.42
RCOR1 Q9UKL0 3/20 0.40
KDM1B Q8NB78 1/20 0.40

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
SCHEMBL3739843 1.00 DPP4 (0.55) DPP4DPP8DPP9DPP7MAOA
SCHEMBL3739847 1.00 DPP4 (0.55) DPP4DPP8DPP9DPP7MAOA
SCHEMBL3740390 0.88 DPP4 (0.51) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3740397 0.88 DPP4 (0.51) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3740394 0.88 DPP4 (0.51) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL3754640 0.87 DPP4 (0.52) DPP4DPP8DPP9DPP7MAOA
SCHEMBL3754646 0.87 DPP4 (0.52) DPP4DPP8DPP9DPP7MAOA
SCHEMBL3745540 0.87 DPP4 (0.67) DPP4DPP8DPP9MAOAKDM1A
SCHEMBL3745543 0.87 DPP4 (0.67) DPP4DPP8DPP9MAOAKDM1A
SCHEMBL3745547 0.87 DPP4 (0.67) DPP4DPP8DPP9MAOAKDM1A

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
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP claimed
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP claimed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO 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.