SCHEMBL855707

SCHEMBL855707

O=C1C(N2CC3CNCC3C2)Nc2ccccc2N1C1CCN(C2(C(=O)OCc3ccccc3)CCCCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 3/20 0.39
OPRM1 P35372 7/20 0.37
OPRL1 P41146 4/20 0.37
OPRK1 P41145 4/20 0.34
OPRD1 P41143 3/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 2/20 0.34
CCR5 P51681 2/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2C P28335 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL16714152 0.94 OPRM1 (0.38) OGFRL1OPRM1OPRL1OPRK1OPRD1
SCHEMBL852496 0.85 OGFRL1 (0.53) OGFRL1OPRM1OPRL1OPRK1OPRD1
SCHEMBL854436 0.84 OPRM1 (0.40) OGFRL1OPRM1OPRL1OPRK1OPRD1
SCHEMBL852255 0.73 FKBP1A (0.40) OPRM1OPRL1NPC1GAAMAPK1
SCHEMBL13221721 0.73 OGFRL1 (0.74) OGFRL1OPRM1OPRL1OPRK1OPRD1
SCHEMBL550752 0.69 OPRM1 (0.53) OGFRL1OPRM1OPRL1OPRK1OPRD1
SCHEMBL551433 0.68 DDB1 (0.48) FKBP1ADDB1CRBN
SCHEMBL852258 0.67 JAK2 (0.38) OGFRL1OPRM1OPRL1OPRK1OPRD1
SCHEMBL25554839 0.67 TSHR (0.49)
SCHEMBL3724255 0.65 DDB1 (0.48) HTR2CDDB1CRBN

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 9 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
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-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

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 25/4885OPRL1 11/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 OGFRL1 2120/4885OPRM1 25/4885OPRL1 11/4885

“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.