SCHEMBL10312295

SCHEMBL10312295

CC(C)CN(CC(C)C)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.45
CRY1 Q16526 2/20 0.45
CRY2 Q49AN0 2/20 0.45
LMNA P02545 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.38
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RORC P51449 7/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NR1I2 O75469 1/20 0.33
RORA P35398 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RORB Q92753 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MMP3 P08254 2/20 0.32
MMP1 P03956 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
SCHEMBL2288891 0.81 TAS2R14 (0.43) PER2CRY1CRY2LMNATAS2R14
SCHEMBL13309413 0.79 PER2 (0.38) PER2CRY1CRY2LMNATAS2R14
SCHEMBL21009518 0.79 PER2 (0.35) PER2CRY1CRY2LMNATAS2R14
SCHEMBL24894413 0.79 TAS2R14 (0.39) PER2CRY1CRY2LMNATAS2R14
SCHEMBL15139521 0.78 L3MBTL1 (0.35) PER2CRY1CRY2LMNAALDH1A1
SCHEMBL23613031 0.78 CRY1 (0.42) PER2CRY1CRY2LMNATAS2R14
SCHEMBL12339283 0.76 PER2 (0.36) PER2CRY1CRY2LMNATAS2R14
SCHEMBL12410297 0.76 MMP3 (0.40) PER2CRY1CRY2LMNATAS2R14
SCHEMBL14899179 0.75 PER2 (0.33) PER2CRY1CRY2LMNA
SCHEMBL12376684 0.75 MMP3 (0.39) PER2CRY1CRY2LMNATAS2R14

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
US-9963458-B2 Indole and indoline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-05-08 US disclosed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 US disclosed
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 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-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-05 US disclosed
US-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-05-21 US disclosed
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-01-08 US disclosed
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-05-08 US disclosed
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-02-13 US disclosed
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-12 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 (7 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 PER2 3434/4885CRY1 3360/4885CRY2 2859/4885
US-20150011529-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QDPR, P2RX5, P2RX1 PER2 3335/4885CRY1 2253/4885CRY2 2777/4885
US-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 PER2 2114/4885CRY1 871/4885CRY2 1784/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 PER2 3434/4885CRY1 3360/4885CRY2 2859/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 PER2 3411/4885CRY1 1271/4885CRY2 1896/4885
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE IK, H1-0, H1-5 PER2 2805/4885CRY1 138/4885CRY2 232/4885
US-20150315201-A1 INDOLE AND INDOLINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF IDO1, IDO2, TPH2 PER2 2307/4885CRY1 2954/4885CRY2 1543/4885

“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.