SCHEMBL551926

SCHEMBL551926

COC(=O)N1C2C=CC1CC(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.35
GABRR1 P24046 1/20 0.35
MMP2 P08253 2/20 0.33
ANPEP P15144 2/20 0.33
BRD4 O60885 2/20 0.33
GRM5 P41594 3/20 0.33
ABCB1 P08183 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PKM P14618 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
SCHEMBL15854063 1.00 MEN1 (0.37) MEN1KMT2ATSHRGABRR1MMP2
SCHEMBL16115659 0.81 CHRM2 (0.45) MEN1KMT2AABCB1SMN1; SMN2THRB
SCHEMBL7959569 0.79 TSHR (0.40) MEN1KMT2ATSHRGRM5ABCB1
SCHEMBL11731279 0.74 GRM5 (0.42) MEN1KMT2ATSHRBRD4GRM5
SCHEMBL12873753 0.74 GRM5 (0.42) MEN1KMT2ATSHRBRD4GRM5
SCHEMBL12320731 0.74 TSHR (0.41) TSHRGRM5CHRNB2CHRNB4CHRNA3
SCHEMBL12277339 0.74 CHRM2 (0.37) TSHRGRM5CHRNB2CHRNB4CHRNA3
SCHEMBL12275534 0.74 CHRM2 (0.37) TSHRGRM5CHRNB2CHRNB4CHRNA3
SCHEMBL12319985 0.74 CHRM2 (0.37) TSHRGRM5CHRNB2CHRNB4CHRNA3
SCHEMBL12274835 0.74 CHRM2 (0.37) TSHRGRM5CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001249-A CYCLOCOUPLING N-ACYLPYRROLE AND A,A*-HALOGENOKETONE, REDUCING AGENTS SANWA KAGAKU KENKYUSHO CO. LTD. (JA) 1977-01-04 US claimed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 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-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
US-8846929-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-09-30 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
EP-2076506-B1 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS PURDUE PHARMA LP (US) 2010-09-22 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
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US disclosed
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2010-01-28 US disclosed
EP-2086958-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2009-08-12 EP disclosed
EP-2076506-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINES AS ORL-1 LIGANDS Purdue Pharma L.P. (US) 2009-07-08 EP disclosed
WO-2009027820-A2 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (DE) 2009-03-05 WO disclosed
WO-2008089201-A2 HETEROCYCLIC-SUBSTITUTED PIPERIDINE AS ORL-1 LIGANDS PURDUE PHARMA L.P. (US) 2008-07-24 WO disclosed
US-4001249-A CYCLOCOUPLING N-ACYLPYRROLE AND A,A*-HALOGENOKETONE, REDUCING AGENTS SANWA KAGAKU KENKYUSHO CO. LTD. (JA) 1977-01-04 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 MEN1 4214/4885KMT2A 1450/4885TSHR 4787/4885
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 MEN1 4214/4885KMT2A 1450/4885TSHR 4787/4885
US-20100022519-A1 HETEROCYCLIC-SUBSTITUTED PIPERIDINE COMPOUNDS AND THE USES THEREOF TRPV1, P2RX4, TRPA1 MEN1 4240/4885KMT2A 2470/4885TSHR 4678/4885
US-20150141643-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 MEN1 4214/4885KMT2A 1450/4885TSHR 4787/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 MEN1 2581/4885KMT2A 2110/4885TSHR 2844/4885

“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.