SCHEMBL853339

SCHEMBL853339

CN(CC(=O)O)C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRB2 P47870 2/20 0.44
SLC6A12 P48065 2/20 0.44
SLC6A11 P48066 2/20 0.44
SLC6A13 Q9NSD5 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRA4 P48169 1/20 0.44
SLC6A4 P31645 12/20 0.40
SLC6A2 P23975 11/20 0.40
SLC6A3 Q01959 7/20 0.40
KCNH2 Q12809 3/20 0.39
CYP2D6 P10635 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL6313494 0.98 SLC6A1 (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13209101 0.89 GABRA5 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3436141 0.84 DDB1 (0.43) SLC6A4SLC6A2SLC6A3KCNH2NOS3
SCHEMBL31209431 0.81 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL3950542 0.80 CA12 (0.41) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL13221613 0.80 CA12 (0.41) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL1513993 0.78
SCHEMBL4458749 0.77 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4458754 0.77 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL21164893 0.76 ALDH1A1 (0.47) ALDH1A1

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 SLC6A1 842/4885GABRA5 339/4885GABRB2 718/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 SLC6A1 842/4885GABRA5 339/4885GABRB2 718/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 SLC6A1 842/4885GABRA5 339/4885GABRB2 718/4885

“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.