SCHEMBL3747985

SCHEMBL3747985

NC(=O)c1ccc(NCC2=CC[C@H](c3cc(F)c(F)cc3F)[C@@H](N)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.54
DPP8 Q6V1X1 6/20 0.54
DPP9 Q86TI2 6/20 0.54
VNN1 O95497 1/20 0.34
DPP7 Q9UHL4 3/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KCNH2 Q12809 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
SCHEMBL3747993 1.00 DPP4 (0.54) DPP4DPP8DPP9VNN1DPP7
SCHEMBL3747988 1.00 DPP4 (0.54) DPP4DPP8DPP9VNN1DPP7
SCHEMBL3746362 0.92 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3746369 0.92 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3746364 0.92 DPP4 (0.49) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3749947 0.89 DPP4 (0.68) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL3749953 0.89 DPP4 (0.68) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL3749949 0.89 DPP4 (0.68) DPP4DPP8DPP9DPP7HDAC1
SCHEMBL3745703 0.88 DPP4 (0.45) DPP4DPP8DPP9DPP7KCNH2
SCHEMBL3745710 0.88 DPP4 (0.45) DPP4DPP8DPP9DPP7KCNH2

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 5 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
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.