SCHEMBL852307

SCHEMBL852307

CC(C)(C)OC(=O)Nc1ccccc1NC1CCN(C23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 6/20 0.40
BRD9 Q9H8M2 1/20 0.39
DRD2 P14416 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL21548115 0.84 KMT2A (0.36) TSHRHSD17B10EPHX2BRD9DRD2
SCHEMBL880712 0.81 CCR5 (0.41) BRD9DRD2ALDH1A1KMT2ARAB9A
SCHEMBL880585 0.80 DRD2 (0.43) BRD9DRD2ALDH1A1KMT2ARAB9A
SCHEMBL853246 0.79 CKS1B (0.39) BRD9DRD2ALDH1A1KMT2ARAB9A
SCHEMBL13904389 0.78 DRD2 (0.39) BRD9DRD2ALDH1A1KMT2ARAB9A
SCHEMBL542496 0.78 KMT2A (0.50) BRD9DRD2ALDH1A1KMT2ARAB9A
SCHEMBL852155 0.77 OPRM1 (0.54) TSHRHSD17B10DRD2ALDH1A1KMT2A
SCHEMBL17874968 0.77 DRD2 (0.39) EPHX2BRD9DRD2KMT2AL3MBTL1
SCHEMBL13221730 0.75 TSHR (0.40) TSHRHSD17B10EPHX2ALDH1A1KMT2A
SCHEMBL16382238 0.74 DRD2 (0.34) BRD9DRD2ALDH1A1RAB9AL3MBTL1

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-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
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-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-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
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
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US 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 (3 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 TSHR 4787/4885HSD17B10 4631/4885EPHX2 1530/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 TSHR 4787/4885HSD17B10 4631/4885EPHX2 1530/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 TSHR 4787/4885HSD17B10 4631/4885EPHX2 1530/4885

“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.