SCHEMBL5366301

SCHEMBL5366301

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.48
DPP4 P27487 9/20 0.48
DPP8 Q6V1X1 7/20 0.48
DPP9 Q86TI2 2/20 0.48
ITGB3 P05106 8/20 0.47
ITGA2B P08514 8/20 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
SCHEMBL5916433 1.00 PREP (0.48) PREPDPP4DPP8DPP9ITGB3
SCHEMBL6111437 1.00 PREP (0.48) PREPDPP4DPP8DPP9ITGB3
SCHEMBL5366307 0.91 DPP4 (0.50) PREPDPP4DPP8DPP9
SCHEMBL13035141 0.90 DPP4 (0.46) PREPDPP4DPP8DPP9
SCHEMBL13463794 0.89 DPP4 (0.50) PREPDPP4DPP8DPP9ITGB3
SCHEMBL13444797 0.89 DPP4 (0.50) PREPDPP4DPP8DPP9ITGB3
SCHEMBL5916366 0.88 DPP4 (0.48) PREPDPP4DPP8DPP9
SCHEMBL5347443 0.87 PREP (0.46) PREPDPP4DPP8DPP9
SCHEMBL4906172 0.86 DPP4 (0.55) PREPDPP4DPP8DPP9ITGB3
SCHEMBL8250574 0.86 DPP4 (0.54) PREPDPP4DPP8DPP9

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-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
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7144886-B2 Dipeptidyl peptidase IV (DP-IV) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2006-12-05 US disclosed
EP-1693365-A1 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2006-08-23 EP disclosed
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents FERRING B.V. (NL) 2005-01-06 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 (6 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 PREP 117/4885DPP4 1/4885DPP8 3/4885
US-20100292172-A1 Peptide-Peptidase Inhibitor Conjugates and Methods of Using Same DNPEP, PEPD, VIP PREP 7/4885DPP4 9/4885DPP8 12/4885
US-20090186817-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME DNPEP, PEPD, VIP PREP 7/4885DPP4 9/4885DPP8 12/4885
US-20050004205-A1 Novel dipeptidyl peptidase iv (dp-iv) inhibitors as anti-diabetic agents DPP4, DPP8, DPP3 PREP 30/4885DPP4 1/4885DPP8 2/4885
US-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME DNPEP, PEPD, VIP PREP 7/4885DPP4 9/4885DPP8 12/4885
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME DNPEP, PEPD, VIP PREP 9/4885DPP4 11/4885DPP8 13/4885

“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.