SCHEMBL550681

SCHEMBL550681

COC(=O)C(=O)N(c1ccccc1NC(=O)OC(C)(C)C)C1CCN(C2(C(=O)OCc3ccccc3)CCCCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
PPIA P62937 1/20 0.35
FKBP1A P62942 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL880719 0.89 ALDH1A1 (0.37) PPIAKMT2A
SCHEMBL4546467 0.85 FKBP1A (0.36) FKBP1A
SCHEMBL550300 0.81 CTSL (0.42) CTSLPPIAFKBP1AITGB3ITGA2B
SCHEMBL10028661 0.71 SYK (0.43) CTSLITGB3ITGA2B
SCHEMBL551499 0.68 KDM4E (0.44) CTSLFKBP1A
SCHEMBL852502 0.67 OPRM1 (0.47) KMT2AL3MBTL1
SCHEMBL4546468 0.67 FKBP1A (0.39) CTSLFKBP1A
SCHEMBL10028655 0.66 CACNA1B (0.41) CTSLITGB3ITGA2B
SCHEMBL3718049 0.66 MEN1 (0.48) KMT2A
SCHEMBL25554839 0.65 TSHR (0.49)

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 8 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
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-2280008-B1 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS PURDUE PHARMA LP (US) 2013-05-29 EP disclosed
US-8110602-B2 Compounds comprising heterocyclic-substituted piperidine for treating pain PURDUE PHARMA L.P. (US) 2012-02-07 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 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 CTSL 3408/4885PPIA 1535/4885FKBP1A 3075/4885
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 CTSL 3002/4885PPIA 825/4885FKBP1A 942/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 CTSL 3408/4885PPIA 1535/4885FKBP1A 3075/4885

“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.