SCHEMBL3745161

SCHEMBL3745161

N[C@H]1CC(CNc2cccc(F)c2)=CC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.49
DPP8 Q6V1X1 3/20 0.49
DPP9 Q86TI2 2/20 0.49
HPGD P15428 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOS1 P29475 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL3745166 1.00 DPP4 (0.49) DPP4DPP8DPP9HPGDDPP7
SCHEMBL3745169 1.00 DPP4 (0.49) DPP4DPP8DPP9HPGDDPP7
SCHEMBL3750722 0.90 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL3750717 0.90 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL3750724 0.90 DPP4 (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL3745301 0.89 DPP4 (0.48) DPP4DPP8DPP9HPGDMEN1
SCHEMBL3744937 0.89 DPP4 (0.48) DPP4DPP8DPP9HPGDDPP7
SCHEMBL3744934 0.89 DPP4 (0.48) DPP4DPP8DPP9HPGDDPP7
SCHEMBL3745307 0.89 DPP4 (0.48) DPP4DPP8DPP9HPGDMEN1
SCHEMBL3745304 0.89 DPP4 (0.48) DPP4DPP8DPP9HPGDMEN1

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
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
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO 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.