SCHEMBL852548

SCHEMBL852548

CCOC(=O)C1CN(CCNC(=O)OC(C)(C)C)CC1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
CACNA1H O95180 1/20 0.45
DRD2 P14416 5/20 0.43
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSL P07711 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
GFER P55789 1/20 0.36

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
SCHEMBL852547 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCACNA1H
SCHEMBL31452925 0.82 MEN1 (0.66) MEN1KMT2AALDH1A1TSHRCACNA1H
SCHEMBL31421588 0.80 CACNA1H (0.50) MEN1KMT2AALDH1A1CACNA1HDRD2
SCHEMBL18233679 0.79 CACNA1H (0.49) MEN1KMT2AALDH1A1CACNA1HDRD2
SCHEMBL26003617 0.77 CACNA1H (0.51) MEN1KMT2AALDH1A1TSHRCACNA1H
SCHEMBL24690634 0.76 CACNA1H (0.47) MEN1KMT2AALDH1A1CACNA1HDRD2
SCHEMBL24951480 0.76 CACNA1H (0.47) MEN1KMT2AALDH1A1CACNA1HDRD2
SCHEMBL24134144 0.76 CACNA1H (0.47) MEN1KMT2AALDH1A1CACNA1HDRD2
SCHEMBL31301242 0.76 DRD2 (0.63) MEN1KMT2AALDH1A1CACNA1HDRD2
SCHEMBL25279192 0.76 CACNA1H (0.56) MEN1KMT2AALDH1A1TSHRCACNA1H

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
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
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 MEN1 4214/4885KMT2A 1450/4885ALDH1A1 889/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 MEN1 4214/4885KMT2A 1450/4885ALDH1A1 889/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 MEN1 4214/4885KMT2A 1450/4885ALDH1A1 889/4885

“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.