SCHEMBL9956415

SCHEMBL9956415

C1CCCCC[C](C2CCCCCCCCCC2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
NISCH Q9Y2I1 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
DAO P14920 1/20 0.30
CYP11B2 P19099 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL7737845 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL61818 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL542776 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL77969 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL13858690 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL25327994 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL7340365 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL11594630 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL625943 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4
SCHEMBL61394 1.00 KMT2A (0.36) KMT2ANISCHCA1CA2CA4

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
US-10118927-B2 Substituted piperidin-4-amino-type compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-11-06 US disclosed
US-9963458-B2 Indole and indoline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-05-08 US disclosed
US-9951038-B2 Quinazolin-4(3H)-one-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2018-04-24 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-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
EP-2654751-B1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA LP (US) 2016-11-23 EP disclosed
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2016-09-22 US disclosed
EP-2797912-B1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA LP (US) 2016-05-25 EP disclosed
US-9290488-B2 Azetidine-substituted quinoxalines as opioid receptor like-1 modulators PURDUE PHARMA L.P. (US) 2016-03-22 US disclosed
WO-2014102594-A2 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 WO disclosed
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
WO-2014102592-A2 OXIME/SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 WO 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
WO-2014020405-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2014-02-06 WO disclosed
EP-2654751-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF Purdue Pharma L.P. (US) 2013-10-30 EP disclosed
WO-2013080036-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-06-06 WO disclosed
WO-2012085648-A9 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-03-21 WO disclosed
WO-2012085648-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-06-28 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 (5 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-20140045830-A1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QPCT, UBXN1, NQO2 KMT2A 2129/4885NISCH 617/4885CA1 3184/4885
US-20160272640-A1 SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF OPRD1, OPRL1, P2RX4 KMT2A 1361/4885NISCH 1669/4885CA1 3825/4885
US-10118927-B2 Substituted piperidin-4-amino-type compounds and uses thereof OPRD1, OPRL1, P2RX4 KMT2A 1361/4885NISCH 1669/4885CA1 3825/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 KMT2A 2110/4885NISCH 1930/4885CA1 1714/4885
US-20140187544-A1 OXIME-SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF QSOX1, OPRK1, OPRD1 KMT2A 1584/4885NISCH 1014/4885CA1 843/4885

“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.