SCHEMBL852541

SCHEMBL852541

COC(=O)C1CCCN1C(=O)CN

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
DPP4 P27487 3/20 0.50
PEPD P12955 2/20 0.50
FKBP1A P62942 2/20 0.50
PREP P48147 1/20 0.50
FAP Q12884 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
XPNPEP1 Q9NQW7 1/20 0.47
ACE P12821 1/20 0.44
LOX P28300 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ALOX5 P09917 1/20 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
SCHEMBL852542 1.00 POLB (0.52) POLBDPP4PEPDFKBP1APREP
SCHEMBL4437850 1.00 POLB (0.52) POLBDPP4PEPDFKBP1APREP
Hydrochloric Acid SCHEMBL7270483 0.98 POLB (0.51) POLBDPP4PEPDFKBP1APREP
Hydrochloric Acid SCHEMBL4437845 0.98 POLB (0.51) POLBDPP4PEPDFKBP1APREP
Hydrochloric Acid SCHEMBL7271886 0.98 POLB (0.51) POLBDPP4PEPDFKBP1APREP
Hydrochloric Acid SCHEMBL4437853 0.98 POLB (0.51) POLBDPP4PEPDFKBP1APREP
SCHEMBL4431061 0.95 FKBP1A (0.56) POLBDPP4PEPDFKBP1APREP
SCHEMBL4431060 0.95 FKBP1A (0.56) POLBDPP4PEPDFKBP1APREP
Hydrochloric Acid SCHEMBL31733698 0.94 FKBP1A (0.55) POLBDPP4PEPDFKBP1APREP
SCHEMBL14902190 0.87 POLB (0.52) POLBPEPDFKBP1AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
EP-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 WO disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
EP-2433937-B1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA LP (US) 2016-06-29 EP disclosed
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 EP disclosed
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed