SCHEMBL3361385

SCHEMBL3361385

CC(C)(C)NC(=O)OC12CC3CC(C1)CC(C(=O)NCc1ccccc1)(C3)C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
DPP8 Q6V1X1 3/20 0.52
DPP9 Q86TI2 3/20 0.52
EPHX2 P34913 5/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.45
CYP17A1 P05093 2/20 0.45
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
HSD11B1 P28845 1/20 0.44
MAPK1 P28482 1/20 0.43
P2RX7 Q99572 1/20 0.43
SPHK2 Q9NRA0 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
SCHEMBL3365667 0.76 HPGD (0.74) HPGDEPHX2MEN1KMT2ATSHR
SCHEMBL3455848 0.75 HPGD (1.00) HPGDEPHX2MEN1KMT2ACYP17A1
SCHEMBL4389776 0.72 SMN1; SMN2 (0.43) HPGDMEN1KMT2ATSHRALDH1A1
SCHEMBL1548107 0.70 SPHK2 (0.80) HPGDMEN1KMT2ATSHRCYP17A1
SCHEMBL3363251 0.69 DPP8 (0.48) DPP8DPP9EPHX2ALDH1A1LMNA
SCHEMBL3455073 0.69 POLB (0.74) HPGDEPHX2MEN1KMT2ACYP17A1
SCHEMBL30684999 0.68 DPP8 (1.00) DPP8DPP9
SCHEMBL27356042 0.68 DPP8 (1.00) DPP8DPP9
SCHEMBL28760791 0.68 DPP8 (0.57) DPP8DPP9EPHX2
SCHEMBL25190275 0.67 HPGD (0.81) HPGDEPHX2MEN1KMT2ACYP17A1

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 HPGD 3655/4885DPP8 4/4885DPP9 8/4885
US-20120295860-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 HPGD 3678/4885DPP8 4/4885DPP9 8/4885

“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.