SCHEMBL3365667

SCHEMBL3365667

O=C(NCc1ccccc1)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.74
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
CYP17A1 P05093 2/20 0.56
CYP19A1 P11511 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 1/20 0.55
HSD11B1 P28845 1/20 0.54
EPHX2 P34913 2/20 0.53
P2RX7 Q99572 2/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SPHK2 Q9NRA0 1/20 0.51
LMNA P02545 1/20 0.48
CNR2 P34972 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3455848 0.86 HPGD (1.00) HPGDKMT2AMEN1CYP17A1CYP19A1
SCHEMBL2405061 0.81 HDAC3 (0.57) HPGDKMT2AMEN1CYP17A1CYP19A1
SCHEMBL2405065 0.81 HDAC3 (0.57) HPGDKMT2AMEN1CYP17A1CYP19A1
SCHEMBL3319514 0.80 HSD11B1 (0.77) HPGDKMT2AMEN1CYP17A1CYP19A1
SCHEMBL1548107 0.79 SPHK2 (0.80) HPGDKMT2AMEN1CYP17A1CYP19A1
SCHEMBL24424186 0.79 HPGD (0.57) HPGDKMT2AMEN1TSHRKDM4E
SCHEMBL22002337 0.77 DPP8 (0.58) HPGDKMT2AMEN1ALDH1A1EPHX2
SCHEMBL25190275 0.77 HPGD (0.81) HPGDKMT2AMEN1CYP17A1CYP19A1
SCHEMBL3361385 0.76 HPGD (0.58) HPGDKMT2AMEN1CYP17A1CYP19A1
SCHEMBL3455073 0.76 POLB (0.74) HPGDKMT2AMEN1CYP17A1CYP19A1

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 3655/4885KMT2A 2697/4885MEN1 2859/4885
US-20120295860-A1 ORGANIC COMPOUNDS DPP4, DPP7, DPP3 HPGD 3678/4885KMT2A 2688/4885MEN1 2852/4885

“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.