SCHEMBL853630

SCHEMBL853630

CC(C)(C)OC(=O)C(CO)NCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.38
TDP1 Q9NUW8 3/20 0.35
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CPB2 Q96IY4 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
NOS1 P29475 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL853631 1.00 GGT1 (0.38) GGT1TDP1ITGA4ITGB7PDCD1
SCHEMBL16426525 0.87 GGT1 (0.39) GGT1TDP1ITGA4ITGB7MEN1
SCHEMBL16382140 0.83 GGT1 (0.41) GGT1PDCD1CD274CPB2CYP2C9
SCHEMBL21548090 0.82 LMNA (0.33) GGT1TDP1CPB2CA1CA2
SCHEMBL21548093 0.81 ITGA4 (0.36) TDP1ITGA4ITGB7PDCD1CD274
SCHEMBL880556 0.81 ITGA4 (0.36) TDP1ITGA4ITGB7PDCD1CD274
SCHEMBL27926587 0.81 CTSK (0.39) TDP1MEN1KMT2AGAACA1
SCHEMBL7365479 0.81 CTSK (0.39) TDP1MEN1KMT2AGAACA1
SCHEMBL26097241 0.80 MAPK14 (0.38) GGT1TDP1MEN1KMT2AGAA
SCHEMBL26097238 0.80 MAPK14 (0.38) GGT1TDP1MEN1KMT2AGAA

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 15 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
CN-101878208-B Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-10-15 CN 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
CN-101878208-A Quinoxaline-type-piperidine compounds that replaces and uses thereof PURDUE PHARMA LP 2010-11-03 CN 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 GGT1 1384/4885TDP1 3834/4885ITGA4 3500/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 GGT1 1384/4885TDP1 3834/4885ITGA4 3500/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 GGT1 1384/4885TDP1 3834/4885ITGA4 3500/4885

“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.