SCHEMBL852258

SCHEMBL852258

CC(C)(C)OC(=O)N1CC2CN(N3CC(=O)N(C4CCN(C5(C(=O)OCc6ccccc6)CCCCCCC5)CC4)c4ccccc43)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRK1 P41145 2/20 0.36
OGFRL1 Q5TC84 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.36
YAP1 P46937 1/20 0.34
PARP1 P09874 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
HTR6 P50406 1/20 0.33
CTSS P25774 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
STS P08842 1/20 0.33

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
SCHEMBL852995 0.87 OGFRL1 (0.40) JAK2JAK1OPRM1OPRK1OGFRL1
SCHEMBL21548104 0.76 OGFRL1 (0.67) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL854261 0.72 OPRM1 (0.40) JAK2JAK1OPRM1OPRK1OGFRL1
SCHEMBL3718049 0.71 MEN1 (0.48) OPRK1OPRD1YAP1GPR119STS
SCHEMBL31288410 0.69 JAK2 (0.53) JAK2JAK1PARP1GPR119STS
SCHEMBL6095209 0.69 JAK2 (0.53) JAK2JAK1PARP1GPR119STS
SCHEMBL30993456 0.69 JAK2 (0.53) JAK2JAK1PARP1GPR119STS
SCHEMBL16714152 0.68 OPRM1 (0.38) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL854436 0.68 OPRM1 (0.40) OPRM1OPRK1OGFRL1OPRD1OPRL1
SCHEMBL25364651 0.67 HTR2C (0.43)

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
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 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
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US 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

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 JAK2 1153/4885JAK1 4235/4885OPRM1 25/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 JAK2 1153/4885JAK1 4235/4885OPRM1 25/4885

“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.