SCHEMBL648690

SCHEMBL648690

COC(=O)C1CC(=O)C(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PTPN1 P18031 1/20 0.38
MMP2 P08253 2/20 0.37
ANPEP P15144 2/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.36
PDE4B Q07343 1/20 0.35
ALDH1A1 P00352 2/20 0.35
BRD4 O60885 1/20 0.34
MAPK1 P28482 1/20 0.34
PREP P48147 2/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL647544 0.84 CHRM2 (0.41) CHRM2CHRM1CHRM3PREPABCB1
SCHEMBL17040995 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3PTPN1NR1H2
SCHEMBL6126949 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3PTPN1NR1H2
SCHEMBL6126947 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3PTPN1NR1H2
SCHEMBL22086379 0.77 CHRM2 (0.50) CHRM2CHRM1CHRM3PTPN1NR1H2
SCHEMBL8104914 0.77 CHRM2 (0.41) CHRM2CHRM1CHRM3PTPN1PDE4B
SCHEMBL883196 0.75 CHRM2 (0.45) CHRM2CHRM1CHRM3PTPN1NR1H2
SCHEMBL14671185 0.75 CHRM2 (0.45) CHRM2CHRM1CHRM3PTPN1MMP2
SCHEMBL476259 0.75 CHRM2 (0.45) CHRM2CHRM1CHRM3PTPN1NR1H2
SCHEMBL12146651 0.75 CHRM2 (0.45) CHRM2CHRM1CHRM3PTPN1MMP2

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 CHRM2 3368/4885CHRM1 3896/4885CHRM3 2553/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 3368/4885CHRM1 3896/4885CHRM3 2553/4885
US-20040121964-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 3368/4885CHRM1 3896/4885CHRM3 2553/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 3368/4885CHRM1 3896/4885CHRM3 2553/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 3398/4885CHRM1 3888/4885CHRM3 2553/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 3398/4885CHRM1 3888/4885CHRM3 2553/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 CHRM2 3368/4885CHRM1 3896/4885CHRM3 2553/4885

“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.