SCHEMBL647174

SCHEMBL647174

CC(C)(C)OC(=O)NC1CCN(c2cncc(C#N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
DRD2 P14416 1/20 0.46
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
KCNA3 P22001 1/20 0.45
RET P07949 1/20 0.45
CHRM4 P08173 2/20 0.44
KDM4D Q6B0I6 3/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
SUV39H2 Q9H5I1 3/20 0.44
SSTR4 P31391 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL8510780 0.83 CKS1B (0.49) CTSKCKS1BSKP1SKP2KCNA3
SCHEMBL5202966 0.83 CTSK (0.53) CTSKCKS1BSKP1SKP2DRD2
SCHEMBL5221881 0.83 CTSK (0.48) CTSKCKS1BSKP1SKP2DRD2
SCHEMBL3280488 0.81 CKS1B (0.48) CTSKCKS1BSKP1SKP2DRD2
SCHEMBL26124350 0.78 EGLN2 (0.53) RETGPR119
SCHEMBL30546320 0.78 EGLN2 (0.53) RETGPR119
SCHEMBL7078845 0.78 RET (0.57) CTSKCKS1BSKP1SKP2DRD2
SCHEMBL3281737 0.78 DPP4 (0.50) CKS1BSKP1SKP2DRD2KCNA3
SCHEMBL5115646 0.78 CTSK (0.50) CTSKCKS1BSKP1SKP2DRD2
SCHEMBL28489283 0.77 AR (0.52) CTSKDRD2JAK3BTKKCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US disclosed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US disclosed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
EP-1560811-B9 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2008-03-05 EP disclosed
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) MADAR DAVID J 2007-11-15 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US disclosed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 US disclosed
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2004-06-24 US disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 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 (7 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-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 832/4885CKS1B 2977/4885SKP1 4018/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 832/4885CKS1B 2977/4885SKP1 4018/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 832/4885CKS1B 2977/4885SKP1 4018/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 832/4885CKS1B 2977/4885SKP1 4018/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 808/4885CKS1B 3006/4885SKP1 4026/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 808/4885CKS1B 3006/4885SKP1 4026/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CTSK 832/4885CKS1B 2977/4885SKP1 4018/4885

“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.