SCHEMBL3754646

SCHEMBL3754646

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.52
DPP8 Q6V1X1 3/20 0.52
DPP9 Q86TI2 2/20 0.52
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BCAT2 O15382 1/20 0.39
MAOB P27338 5/20 0.38
KDM1A O60341 5/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3754640 1.00 DPP4 (0.52) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL3754641 1.00 DPP4 (0.52) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL3745540 0.88 DPP4 (0.67) DPP4DPP8DPP9MAOBKDM1A
SCHEMBL3745543 0.88 DPP4 (0.67) DPP4DPP8DPP9MAOBKDM1A
SCHEMBL3745547 0.88 DPP4 (0.67) DPP4DPP8DPP9MAOBKDM1A
SCHEMBL3739853 0.87 DPP4 (0.55) DPP4DPP8DPP9MAOBKDM1A
SCHEMBL3739843 0.87 DPP4 (0.55) DPP4DPP8DPP9MAOBKDM1A
SCHEMBL3739847 0.87 DPP4 (0.55) DPP4DPP8DPP9MAOBKDM1A
SCHEMBL3755845 0.84 DPP4 (0.44) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL3755842 0.84 DPP4 (0.44) DPP4DPP8DPP9NPC1RAB9A

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.