SCHEMBL852073

SCHEMBL852073

O=C(O)CNC1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
DPP4 P27487 1/20 0.50
FAP Q12884 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
SLC6A1 P30531 4/20 0.47
GABRA5 P31644 3/20 0.47
GABRB2 P47870 3/20 0.47
SLC6A11 P48066 3/20 0.47
SLC6A13 Q9NSD5 3/20 0.47
SLC6A12 P48065 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRR1 P24046 1/20 0.47
KDM1A O60341 1/20 0.43
EPHX1 P07099 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
POLB P06746 1/20 0.38

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
SCHEMBL3640222 0.98 KCNH2 (0.52) KCNH2DPP4FAPDPP8DPP9
SCHEMBL6379177 0.89 SLC6A1 (0.46) KCNH2DPP4FAPDPP8DPP9
SCHEMBL30015806 0.88 SLC6A1 (0.41) KCNH2DPP4FAPDPP8DPP9
SCHEMBL1704922 0.88 EPHX1 (0.50) KCNH2DPP4FAPDPP8DPP9
SCHEMBL21063528 0.83
SCHEMBL14000057 0.82 KCNH2 (0.52) KCNH2DPP4FAPDPP8DPP9
SCHEMBL11152918 0.82 KCNH2 (0.57) KCNH2DPP4FAPDPP8DPP9
SCHEMBL15084807 0.82 KCNH2 (0.52) KCNH2DPP4FAPDPP8DPP9
SCHEMBL3640224 0.81 KCNH2 (0.50) KCNH2DPP4FAPDPP8DPP9
SCHEMBL31370238 0.81 KCNH2 (0.50) KCNH2DPP4FAPDPP8DPP9

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
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
EP-2173709-A2 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS Phenomix Corporation (US) 2010-04-14 EP disclosed
US-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2010-04-08 US disclosed
CN-101679238-A methods and intermediates for synthesis of selective dpp-iv inhibitors PHENOMIX CORP 2010-03-24 CN disclosed
WO-2009104557-A1 PROCESS FOR PRODUCTION OF N-(3-PYRROLIDINYL)GLYCINE DERIVATIVE 株式会社カネカ (JP) 2009-08-27 WO disclosed
WO-2008109681-A2 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS PHENOMIX CORPORATION (US) 2008-09-12 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 (4 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 KCNH2 41/4885DPP4 1294/4885FAP 1354/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 KCNH2 41/4885DPP4 1294/4885FAP 1354/4885
US-20100087658-A1 METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS DPP4, DPP3, DPP7 KCNH2 2193/4885DPP4 1/4885FAP 43/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 KCNH2 41/4885DPP4 1294/4885FAP 1354/4885

“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.