SCHEMBL1328864

SCHEMBL1328864

CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)NCCNCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ANPEP P15144 1/20 0.51
DPP8 Q6V1X1 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
SYK P43405 1/20 0.45
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL18879557 0.89 ANPEP (0.52) MAPTANPEPDPP8DPP7DPP4
SCHEMBL6046926 0.86 SYK (0.54) MAPTSYKL3MBTL1MAPK1
SCHEMBL2584350 0.85 KLK7 (0.50) MAPTKLK7KLK5
SCHEMBL30678146 0.84 MAPT (0.49) MAPTANPEPDPP8DPP7DPP4
SCHEMBL30678048 0.84 MAPT (0.49) MAPTANPEPDPP8DPP7DPP4
SCHEMBL5490556 0.84 MAPT (0.59) MAPTANPEPDPP8DPP7DPP4
SCHEMBL7979181 0.84 MAPT (0.59) MAPTANPEPDPP8DPP7DPP4
SCHEMBL20168169 0.84 MAPT (0.59) MAPTANPEPDPP8DPP7DPP4
SCHEMBL4142816 0.84 SYK (0.52) MAPTSYKL3MBTL1POLBMAPK1
SCHEMBL24235717 0.83 MEN1 (0.52) MAPTANPEPDPP8DPP7KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349241-B1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-06-19 EP disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 US disclosed
US-9238020-B2 Compositions comprising enzyme-cleavable phenol-modified tapentadol prodrug SIGNATURE THERAPEUTICS, INC. (US) 2016-01-19 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
US-9040032-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2015-05-26 US disclosed
US-20150031635-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids 3I, LP 2015-01-29 US disclosed
US-8802681-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2014-08-12 US disclosed
US-20130210701-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210700-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug SIGNATURE THERAPEUTICS, INC. (US) 2013-04-11 US disclosed
EP-2560490-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2013-02-27 EP disclosed
EP-2560489-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2013-02-27 EP disclosed
US-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids 3I, LP 2011-11-17 US disclosed
WO-2011133150-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133149-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133151-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED OPIOID PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. 2011-10-27 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 (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-20150031635-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids COMT, OPRM1, OPRK1 MAPT 1446/4885ANPEP 59/4885DPP8 115/4885
US-20130210701-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP MAPT 1589/4885ANPEP 31/4885DPP8 151/4885
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof COMT, OPRM1, DNPEP MAPT 1921/4885ANPEP 49/4885DPP8 136/4885
US-20130090379-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Tapentadol Prodrug CYP2C9, ACHE, COMT MAPT 1902/4885ANPEP 45/4885DPP8 177/4885
US-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids COMT, OPRM1, OPRK1 MAPT 1446/4885ANPEP 59/4885DPP8 115/4885
US-20130210700-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof COMT, OPRM1, DNPEP MAPT 1921/4885ANPEP 49/4885DPP8 136/4885
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP MAPT 1589/4885ANPEP 31/4885DPP8 151/4885

“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.