SCHEMBL3745322

SCHEMBL3745322

NC1CC(C(=O)N2CCOCC2)=CCC1c1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.47
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
DPP9 Q86TI2 7/20 0.39
DPP7 Q9UHL4 6/20 0.39
DPP8 Q6V1X1 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 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
SCHEMBL3745318 1.00 DPP4 (0.47) DPP4MAPTTSHRDPP9DPP7
SCHEMBL3745320 1.00 DPP4 (0.47) DPP4MAPTTSHRDPP9DPP7
SCHEMBL3753372 0.88 DPP4 (0.43) DPP4MAPTDPP9DPP7DPP8
SCHEMBL3753373 0.88 DPP4 (0.43) DPP4MAPTDPP9DPP7DPP8
SCHEMBL3753374 0.88 DPP4 (0.43) DPP4MAPTDPP9DPP7DPP8
SCHEMBL3754822 0.86 DPP4 (0.39) DPP4DPP9DPP7DPP8
SCHEMBL3754831 0.86 DPP4 (0.39) DPP4DPP9DPP7DPP8
SCHEMBL3754826 0.86 DPP4 (0.39) DPP4DPP9DPP7DPP8
SCHEMBL3746352 0.84 ALDH1A1 (0.42) DPP4DPP9DPP7DPP8SMN1; SMN2
SCHEMBL3746356 0.84 ALDH1A1 (0.42) DPP4DPP9DPP7DPP8SMN1; SMN2

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 8 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-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US 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 1/4885MAPT 3240/4885TSHR 3296/4885

“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.