SCHEMBL1456880

SCHEMBL1456880

NCCCC[C@H](N)C(=O)C1CCCN1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 11/20 0.45
DPP8 Q6V1X1 6/20 0.45
DPP4 P27487 5/20 0.45
DPP9 Q86TI2 4/20 0.45
FAP Q12884 1/20 0.45
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
GSR P00390 1/20 0.38

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
SCHEMBL7694263 0.73 DPP7 (0.54) DPP7DPP8DPP4DPP9FAP
SCHEMBL23930646 0.72 DPP7 (0.47) DPP7DPP8DPP4DPP9FAP
SCHEMBL6234583 0.71 DPP7 (0.48) DPP7DPP8DPP4DPP9FAP
SCHEMBL6234578 0.71 DPP7 (0.48) DPP7DPP8DPP4DPP9FAP
SCHEMBL2113409 0.69 DPP7 (0.65) DPP7DPP8DPP4DPP9FAP
SCHEMBL2123083 0.69 DPP7 (0.65) DPP7DPP8DPP4DPP9FAP
SCHEMBL2113410 0.69 DPP7 (0.65) DPP7DPP8DPP4DPP9FAP
SCHEMBL29374265 0.69 DPP7 (0.65) DPP7DPP8DPP4DPP9FAP
SCHEMBL29406923 0.69 DPP7 (0.65) DPP7DPP8DPP4DPP9FAP
SCHEMBL2123080 0.69 DPP7 (0.65) DPP7DPP8DPP4DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2012-10-11 US disclosed
EP-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 EP disclosed
US-7816325-B2 Secondary binding site of dipeptidyl peptidase IV (DP IV) OSI PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
WO-2010072327-A2 PHARMACEUTICAL COMPOSITION BASED ON PEPTIDE FROM CAMEL MILK KAMAMED GMBH (DE) 2010-07-01 WO disclosed
EP-1543023-B1 SECONDARY BINDING SITE OF DIPEPTIDYL PEPTIDASE IV (DP IV) PROSIDION LTD (GB) 2010-03-17 EP disclosed
US-20060234940-A1 Secondary binding site of dipeptidyl peptidase IV (DP IV) ROYALTY PHARMA FINANCE TRUST 2006-10-19 US disclosed
US-20050176622-A1 Secondary binding site of dipeptidyl peptidase IV (DPIV) PROSIDION LIMITED (GB) 2005-08-11 US disclosed
EP-1543023-A2 SECONDARY BINDING SITE OF DIPEPTIDYL PEPTIDASE IV (DP IV) Prosidion Limited (GB) 2005-06-22 EP disclosed
WO-2004031374-A2 SECONDARY BINDING SITE OF DIPEPTIDYL PEPTIDASE IV (DP IV) PROSIDION LTD. (GB) 2004-04-15 WO disclosed
US-20040058876-A1 Secondary binding site of dipeptidyl peptidase IV (DP IV) PROSIDION LIMITED (GB) 2004-03-25 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 (4 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-20060234940-A1 Secondary binding site of dipeptidyl peptidase IV (DP IV) DPP4, DPP3, DPP7 DPP7 3/4885DPP8 4/4885DPP4 1/4885
US-20040058876-A1 Secondary binding site of dipeptidyl peptidase IV (DP IV) DPP4, DPP3, DPP7 DPP7 3/4885DPP8 4/4885DPP4 1/4885
US-20050176622-A1 Secondary binding site of dipeptidyl peptidase IV (DPIV) DPP4, DPP3, DPP7 DPP7 3/4885DPP8 4/4885DPP4 1/4885
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE PEPD, CTSC, SERPINB1 DPP7 15/4885DPP8 32/4885DPP4 19/4885

“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.