SCHEMBL854658

SCHEMBL854658

CCOC(=O)C1C(=O)CC2CCCC1C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.39
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL19229897 0.91 EPHX2 (0.43) TLR4ALDH1A1MEN1KMT2AMAPT
SCHEMBL1869315 0.79 ALDH1A1 (0.41) TLR4ALDH1A1MEN1KMT2AMAPT
SCHEMBL19807408 0.73 SLC6A3 (0.42) ALDH1A1MEN1KMT2APOLBCYP2C19
SCHEMBL6765079 0.73 SLC6A3 (0.42) ALDH1A1MEN1KMT2APOLBCYP2C19
SCHEMBL9729321 0.72 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9729328 0.72 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15080544 0.70 CYP2C19 (0.40) ALDH1A1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL1782540 0.69 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9637776 0.69 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14484945 0.69 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds PURDUE PHARMA L.P. (US) 2021-09-07 US disclosed
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-07-16 US disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-20180370971-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-12-27 US disclosed
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-05-31 US disclosed
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. 2018-05-31 US 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-9890164-B2 Substituted-quinoxaline-type bridged-piperidine compounds as ORL-1 modulators PURDUE PHARMA, L.P. (US) 2018-02-13 US disclosed
EP-2433936-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-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 US disclosed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 US disclosed
EP-2324013-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2011-05-25 EP disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 US disclosed
WO-2010010458-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2010-01-28 WO disclosed
WO-2010010458-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2010-01-28 WO disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 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 (6 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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 TLR4 161/4885ALDH1A1 889/4885MEN1 4214/4885
US-11111246-B2 Pharmaceutical salts of substituted-quinoxaline-type bridged-piperidine compounds QDPR, P2RX4, P2RX5 TLR4 197/4885ALDH1A1 800/4885MEN1 3416/4885
US-20180370971-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR TLR4 126/4885ALDH1A1 709/4885MEN1 4222/4885
US-20200223847-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, OPRK1, QDPR TLR4 126/4885ALDH1A1 709/4885MEN1 4222/4885
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 TLR4 165/4885ALDH1A1 196/4885MEN1 4473/4885
US-20180148449-A1 Substituted-Quinoxaline-Type Bridged-Piperidine Compounds and the Uses Thereof P2RX4, OPRK1, QDPR TLR4 126/4885ALDH1A1 709/4885MEN1 4222/4885

“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.