SCHEMBL13347240

SCHEMBL13347240

O=C(c1ccccc1)N1CCN[C@@H](C(=O)N2CCC[C@H]2B(O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.57
FAP Q12884 9/20 0.55
DPP9 Q86TI2 6/20 0.55
DPP8 Q6V1X1 5/20 0.55
DPP7 Q9UHL4 5/20 0.55
PREP P48147 5/20 0.49
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
PITRM1 Q5JRX3 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8285597 0.89 DPP4 (0.55) DPP4FAPDPP9DPP8DPP7
SCHEMBL16104916 0.84 HPGD (0.46) DPP4DPP8ALDH1A1SIGMAR1KDM4E
SCHEMBL8288240 0.78 DPP4 (0.55) DPP4FAPDPP9DPP8DPP7
SCHEMBL27799875 0.76 SIGMAR1 (0.58) ALDH1A1SIGMAR1KDM4EPOLB
SCHEMBL27854131 0.76 SIGMAR1 (0.58) ALDH1A1SIGMAR1KDM4EPOLB
SCHEMBL2628902 0.74 SIGMAR1 (0.55) ALDH1A1SIGMAR1KDM4E
SCHEMBL8234730 0.72 DPP4 (1.00) DPP4FAPDPP9DPP8DPP7
SCHEMBL4417766 0.72 DPP4 (1.00) DPP4FAPDPP9DPP8DPP7
SCHEMBL8287844 0.72 FAP (0.62) DPP4FAPDPP9DPP8DPP7
SCHEMBL13347185 0.72 FAP (0.62) DPP4FAPDPP9DPP8DPP7

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
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-20070185061-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 2007-08-09 US disclosed
US-20070185061-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 2007-08-09 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 (3 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 269/4885DPP9 6/4885
US-20070185061-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 209/4885DPP9 5/4885
US-20100120661-A1 HETEROCYCLIC BORONIC ACID COMPOUNDS DPP4, DPP7, DPP3 DPP4 1/4885FAP 238/4885DPP9 7/4885

“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.