SCHEMBL3363263

SCHEMBL3363263

NC12CC3CC(C1)CC(OC(=O)NC1CCCCC1)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
EPHX1 P07099 7/20 0.46
GAA P10253 1/20 0.45
EPHX2 P34913 3/20 0.43
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
NAAA Q02083 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 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
SCHEMBL14804129 0.85 EPHX1 (0.54) DPP4EPHX1GAAEPHX2ALDH1A1
SCHEMBL5608146 0.79 POLB (0.41) DPP8DPP9ALDH1A1POLBNAAA
SCHEMBL3363251 0.75 DPP8 (0.48) DPP4EPHX2DPP8DPP9ALDH1A1
SCHEMBL5179241 0.75 POLB (0.50) EPHX2DPP8DPP9POLBNAAA
SCHEMBL5608432 0.74 GRIN2D (0.43) DPP8DPP9ALDH1A1POLBNPC1
SCHEMBL3366010 0.73 POLB (0.45) DPP4DPP8DPP9POLBNAAA
SCHEMBL12205968 0.73 POLB (0.41) DPP8DPP9ALDH1A1KMT2APOLB
SCHEMBL27356480 0.72 DPP8 (0.41) DPP4DPP8DPP9POLBNAAA
Hydrochloric Acid SCHEMBL27804946 0.72 POLB (0.44) DPP4DPP8DPP9POLBNAAA
SCHEMBL31732779 0.71 DPP8 (0.53) DPP4DPP8DPP9POLBNAAA

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 7 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
US-20100256080-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-07 US disclosed
EP-1137635-B1 N-SUBSTITUTED 2-CYANOPYRROLIDINES NOVARTIS AG (CH) 2005-10-19 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

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 DPP4 1/4885EPHX1 2943/4885GAA 399/4885
US-20120295860-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 DPP4 1/4885EPHX1 2936/4885GAA 399/4885

“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.