SCHEMBL3744987

SCHEMBL3744987

COC(=O)C1=CCC(c2cc(F)c(F)cc2F)C(N)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.39
GABRR1 P24046 1/20 0.38
DPP7 Q9UHL4 9/20 0.38
DPP9 Q86TI2 6/20 0.38
DPP8 Q6V1X1 5/20 0.35
KDM1A O60341 6/20 0.35
KDM1B Q8NB78 4/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL3744991 1.00 DPP4 (0.39) DPP4GABRR1DPP7DPP9DPP8
SCHEMBL3742246 1.00 DPP4 (0.39) DPP4GABRR1DPP7DPP9DPP8
SCHEMBL4697360 0.83 GABRR1 (0.49) DPP4GABRR1DPP7DPP9DPP8
SCHEMBL3753120 0.81 POLB (0.32)
SCHEMBL3753126 0.81 POLB (0.32)
SCHEMBL3753123 0.81 POLB (0.32)
SCHEMBL3742846 0.78 KDM1A (0.36) DPP4DPP7DPP9KDM1A
SCHEMBL3744702 0.78 KDM1A (0.36) DPP4DPP7DPP9KDM1A
SCHEMBL3739847 0.76 DPP4 (0.55) DPP4DPP7DPP9DPP8KDM1A
SCHEMBL3739853 0.76 DPP4 (0.55) DPP4DPP7DPP9DPP8KDM1A

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 3 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 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 1/4885GABRR1 4179/4885DPP7 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.