SCHEMBL4905360

SCHEMBL4905360

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 1/20 0.53
DPP7 Q9UHL4 1/20 0.53
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PREP P48147 4/20 0.46
PRCP P42785 1/20 0.44
KMT2A Q03164 1/20 0.43
MDM2 Q00987 1/20 0.42
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 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
SCHEMBL13549091 0.90 PREP (0.49) DPP4DPP8DPP9DPP7TLR2
SCHEMBL5348559 0.87 DPP4 (0.53) DPP4DPP8DPP9DPP7TLR2
SCHEMBL15960070 0.85 PRCP (0.51) TLR2TLR1ITGB3ITGA2BPRCP
SCHEMBL30640764 0.85 PRCP (0.51) TLR2TLR1ITGB3ITGA2BPRCP
SCHEMBL29696668 0.85 PRCP (0.51) TLR2TLR1ITGB3ITGA2BPRCP
SCHEMBL13882551 0.84 DPP4 (0.73) DPP4DPP8DPP9DPP7KMT2A
SCHEMBL13034950 0.83 DPP4 (0.47) DPP4DPP8DPP9DPP7TLR2
SCHEMBL30633846 0.83 CMA1 (0.49) TLR2TLR1ITGB3ITGA2BPRCP
SCHEMBL13702142 0.82 TLR2 (0.53) TLR2TLR1ITGB3ITGA2BKMT2A
SCHEMBL13034909 0.81 ITGB3 (0.47) DPP4DPP8DPP9DPP7ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME ASTRAZENECA PHARMACEUTICALS LP 2014-12-18 US disclosed
US-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME ASTRAZENECA PHARMACEUTICALS LP 2014-12-18 US disclosed
US-8759295-B2 Peptide-peptidase inhibitor conjugates and methods of using same AMYLIN PHARMACEUTICALS, LLC (US) 2014-06-24 US disclosed
US-8759295-B2 Peptide-peptidase inhibitor conjugates and methods of using same AMYLIN PHARMACEUTICALS, LLC (US) 2014-06-24 US disclosed
US-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20090186817-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20090186817-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
WO-2009042922-A2 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
US-20080255126-A1 Inhibitors of post-proline cleaving proteases FERRING B.V. 2008-10-16 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7125863-B2 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2006-10-24 US disclosed
EP-1693365-A1 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2006-08-23 EP disclosed
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv FERRING B. V. 2005-02-24 US disclosed
EP-1280797-B1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV FERRING BV (NL) 2004-10-13 EP disclosed
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2004-04-29 US disclosed
US-20030216450-A1 Inhibitors of dipeptidyl peptidase IV FERRING BV (NL) 2003-11-20 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 (8 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-20030216450-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP8 DPP4 1/4885DPP8 3/4885DPP9 5/4885
US-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same DNPEP, PEPD, VIP DPP4 9/4885DPP8 12/4885DPP9 8/4885
US-20040082497-A1 Inhibitors of dipeptidyl peptidase IV DPP4, DPP7, DPP3 DPP4 1/4885DPP8 6/4885DPP9 4/4885
US-20090186817-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME DNPEP, PEPD, VIP DPP4 9/4885DPP8 12/4885DPP9 8/4885
US-20050043299-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP9, DPP3 DPP4 1/4885DPP8 9/4885DPP9 2/4885
US-20080255126-A1 Inhibitors of post-proline cleaving proteases PREP, PEPD, DPP4 DPP4 3/4885DPP8 16/4885DPP9 8/4885
US-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME DNPEP, PEPD, VIP DPP4 9/4885DPP8 12/4885DPP9 8/4885
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME DNPEP, PEPD, VIP DPP4 11/4885DPP8 13/4885DPP9 6/4885

“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.