Sugi Predict

Sugi Predict / Compounds / SCHEMBL852437

SCHEMBL852437

SCHEMBL852437

Nc1ccccc1NC1CC2CCC(C1)N2C1CC2CCCC(C2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ OPRL1 P41146 15/20 0.38
▸ OGFRL1 Q5TC84 14/20 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
SCHEMBL17421167 1.00 KDM4E (0.51) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL880393 1.00 KDM4E (0.51) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL12436683 0.97 KDM4E (0.51) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL15854496 0.97 KDM4E (0.51) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL17807891 0.97 KDM4E (0.51) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL852848 0.97 KDM4E (0.51) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL880525 0.97 KDM4E (0.51) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL15854074 0.97 KDM4E (0.55) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL15842181 0.96 KDM4E (0.54) KDM4EGAAMAPTHTR3EHTR3B
SCHEMBL15842182 0.96 KDM4E (0.54) KDM4EGAAMAPTHTR3EHTR3B

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 16 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-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-05-31 — — US disclosed
US-9890164-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2018-02-13 — — US 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-20160009717-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-01-14 — — 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 (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-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 KDM4E 965/4885GAA 1694/4885MAPT 2731/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 KDM4E 965/4885GAA 1694/4885MAPT 2731/4885
US-20160009717-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 KDM4E 1588/4885GAA 3537/4885MAPT 2151/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 KDM4E 965/4885GAA 1694/4885MAPT 2731/4885
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR KDM4E 966/4885GAA 2934/4885MAPT 1560/4885

“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.