SCHEMBL852995

SCHEMBL852995

CC(C)(C)OC(=O)N1CC2CN(N3CC(=O)N(C4CCN(C5(C(N)=O)CCCCCCC5)CC4)c4ccccc43)CC2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 4/20 0.40
OPRM1 P35372 4/20 0.40
OPRK1 P41145 2/20 0.40
OPRD1 P41143 2/20 0.39
OPRL1 P41146 1/20 0.36
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CTSS P25774 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 2/20 0.32
LIPE Q05469 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL852258 0.87 JAK2 (0.38) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880907 0.73 OGFRL1 (0.73) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL854261 0.72 OPRM1 (0.40) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL853294 0.66 OPRL1 (0.55) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL880915 0.66 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL10289955 0.66 OGFRL1 (0.74) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL10062597 0.66 CTSD (0.47) OGFRL1OPRM1OPRK1OPRD1OPRL1
SCHEMBL15861263 0.64 CTSD (0.48) OPRL1CTSDCTSEBACE1GPR119
SCHEMBL2606281 0.64 KCNH2 (0.58) OPRM1OPRK1OPRL1GPR119
SCHEMBL7479526 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP 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
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 US disclosed
US-9278967-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-03-08 US disclosed
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP disclosed
US-8846929-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-09-30 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 OGFRL1 2120/4885OPRM1 25/4885OPRK1 6/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 OGFRL1 2120/4885OPRM1 25/4885OPRK1 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.