SCHEMBL3363251

SCHEMBL3363251

CC(C)(C)NC(=O)OC12CC3CC(CC(N)(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.48
DPP9 Q86TI2 3/20 0.48
DPP4 P27487 1/20 0.46
DYRK3 O43781 1/20 0.40
CSNK1E P49674 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
POLB P06746 1/20 0.39
NAAA Q02083 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36

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
SCHEMBL31732779 0.86 DPP8 (0.53) DPP8DPP9DPP4DYRK3CSNK1E
SCHEMBL5608146 0.83 POLB (0.41) DPP8DPP9POLBNAAAPKM
SCHEMBL20243117 0.81 DPP8 (0.34) DPP8DPP9DPP4ALDH1A1
SCHEMBL27356480 0.79 DPP8 (0.41) DPP8DPP9DPP4POLBNAAA
SCHEMBL5608432 0.78 GRIN2D (0.43) DPP8DPP9POLBNAAAPKM
SCHEMBL25589902 0.78 DPP8 (0.53) DPP8DPP9DPP4DYRK3CSNK1E
SCHEMBL3366010 0.78 POLB (0.45) DPP8DPP9DPP4DYRK3CLK1
Hydrochloric Acid SCHEMBL27804946 0.76 POLB (0.44) DPP8DPP9DPP4DYRK3CLK1
SCHEMBL5179241 0.76 POLB (0.50) DPP8DPP9POLBNAAAPKM
SCHEMBL3363263 0.75 DPP4 (0.50) DPP8DPP9DPP4POLBNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569250-B2 Organic compounds NOVARTIS AG (CH) 2013-10-29 US disclosed
EP-2247602-B1 ADAMANTYL O-GLUCURONIDE DERIVATIVES AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES NOVARTIS AG (CH) 2013-04-03 EP disclosed
US-20120295860-A1 ORGANIC COMPOUNDS HASSIEPEN ULRICH (DE) 2012-11-22 US disclosed
US-8252751-B2 Organic compounds NOVARTIS AG (CH) 2012-08-28 US disclosed
EP-2247602-A2 ADAMANTYL O-GLUCURONIDE DERIVATIVES AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FOR THE TREATMENT OF DIABETES Novartis AG (CH) 2010-11-10 EP disclosed
US-20100256080-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-07 US disclosed
WO-2009068531-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-04 WO disclosed
EP-1137635-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2005-10-19 EP disclosed
EP-1137635-A1 N-SUBSTITUTED 2-CYANOPYRROLIDINES Novartis AG (CH) 2001-10-04 EP disclosed
US-6166063-A N-(substituted glycyl)-2-cyanopyrrolidines, pharmaceutical compositions containing them and their use in inhibiting dipeptidyl peptidase-IV NOVARTIS AG (CH) 2000-12-26 US disclosed
WO-2000034241-A1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2000-06-15 WO 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-20100256080-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 DPP8 4/4885DPP9 8/4885DPP4 1/4885
US-20120295860-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 DPP8 4/4885DPP9 8/4885DPP4 1/4885

“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.