SCHEMBL13347199

SCHEMBL13347199

O=C([C@H]1NC[C@@H]1c1ccccc1)N1CCC[C@H]1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.50
FAP Q12884 11/20 0.48
PREP P48147 7/20 0.48
DPP9 Q86TI2 7/20 0.48
DPP8 Q6V1X1 6/20 0.48
DPP7 Q9UHL4 5/20 0.48
PITRM1 Q5JRX3 3/20 0.45

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
SCHEMBL13997344 0.82 MEN1 (0.45) DPP4
SCHEMBL8287679 0.78 DPP4 (0.67) DPP4FAPPREPDPP9DPP8
SCHEMBL3179037 0.78 DPP4 (0.67) DPP4FAPPREPDPP9DPP8
SCHEMBL16104907 0.78 DPP4 (0.67) DPP4FAPPREPDPP9DPP8
SCHEMBL8287685 0.75 DPP4 (0.65) DPP4FAPPREPDPP9DPP8
SCHEMBL13347125 0.75 DPP4 (0.65) DPP4FAPPREPDPP9DPP8
SCHEMBL3195160 0.75 DPP4 (0.65) DPP4FAPPREPDPP9DPP8
SCHEMBL13347217 0.72 DPP4 (0.46) DPP4FAPPREPDPP9DPP8
SCHEMBL13372088 0.71 FAP (0.49) DPP4FAPPREPDPP9DPP8
SCHEMBL8287953 0.71 HRH3 (0.56) DPP4FAPPREPDPP9DPP8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1997533-B1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors PHENOMIX CORP (US) 2014-09-24 EP disclosed
EP-1689757-B1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2014-08-27 EP disclosed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US disclosed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US disclosed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
US-7674913-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2010-03-09 US disclosed
US-7674913-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2010-03-09 US disclosed
US-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis PHENOMIX CORPORATION 2007-03-15 US disclosed
US-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis PHENOMIX CORPORATION 2007-03-15 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 (2 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-20070060547-A1 (2R)-1-{2-[(3R)-pyrrolidin-3-ylamino]-acetyl}-pyrrolidine-2-boronic acid; Dipeptidyl peptidase IV (DPP-IV) inhibitors; diabetes, hyperglycemia, Syndrome X, hyperinsulinemia, obesity, atherosclerosis DPP4, DPP7, DPP3 DPP4 1/4885FAP 269/4885PREP 118/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 DPP4 1/4885FAP 238/4885PREP 465/4885

“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.