SCHEMBL3754826

SCHEMBL3754826

N[C@H]1CC(C(=O)N2CCNCC2)=CC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.39
DPP9 Q86TI2 9/20 0.39
DPP7 Q9UHL4 9/20 0.36
DPP8 Q6V1X1 6/20 0.36
HRH4 Q9H3N8 2/20 0.36
PARP1 P09874 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL3754822 1.00 DPP4 (0.39) DPP4DPP9DPP7DPP8HRH4
SCHEMBL3754831 1.00 DPP4 (0.39) DPP4DPP9DPP7DPP8HRH4
SCHEMBL3753373 0.88 DPP4 (0.43) DPP4DPP9DPP7DPP8
SCHEMBL3753372 0.88 DPP4 (0.43) DPP4DPP9DPP7DPP8
SCHEMBL3753374 0.88 DPP4 (0.43) DPP4DPP9DPP7DPP8
SCHEMBL3745318 0.86 DPP4 (0.47) DPP4DPP9DPP7DPP8
SCHEMBL3745320 0.86 DPP4 (0.47) DPP4DPP9DPP7DPP8
SCHEMBL3745322 0.86 DPP4 (0.47) DPP4DPP9DPP7DPP8
SCHEMBL3746356 0.84 ALDH1A1 (0.42) DPP4DPP9DPP7DPP8
SCHEMBL3746350 0.84 ALDH1A1 (0.42) DPP4DPP9DPP7DPP8

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 6 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
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 1/4885DPP9 4/4885DPP7 3/4885

“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.