SCHEMBL3738796

SCHEMBL3738796

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.54
OPRD1 P41143 1/20 0.54
OPRL1 P41146 8/20 0.53
OPRM1 P35372 1/20 0.53
EGLN1 Q9GZT9 1/20 0.52
C5AR1 P21730 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL3771547 1.00 OPRK1 (0.54) OPRK1OPRD1OPRL1OPRM1EGLN1
SCHEMBL13479986 0.91 OPRL1 (0.60) OPRK1OPRD1OPRL1OPRM1EGLN1
SCHEMBL21753390 0.89 HDAC1 (0.48) OPRK1OPRD1OPRL1OPRM1EGLN1
SCHEMBL5578720 0.89 OPRK1 (0.50) OPRK1OPRD1OPRL1OPRM1EGLN1
SCHEMBL10253956 0.89 OPRL1 (0.48) OPRK1OPRD1OPRL1OPRM1HDAC1
SCHEMBL3737310 0.88 OPRK1 (0.49) OPRK1OPRD1OPRL1OPRM1EGLN1
SCHEMBL3735215 0.88 OPRL1 (0.48) OPRK1OPRD1OPRL1OPRM1EGLN1
SCHEMBL13480119 0.86 OPRL1 (0.54) OPRK1OPRD1OPRL1OPRM1HDAC1
SCHEMBL14297231 0.85 OPRK1 (0.49) OPRK1OPRD1OPRL1OPRM1EGLN1
SCHEMBL14608881 0.85 OPRK1 (0.54) OPRK1OPRD1OPRL1OPRM1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122739-B1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2019-01-16 EP disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
EP-3122739-A1 PYRIDYL PIPERIDINES Merck Patent GmbH (DE) 2017-02-01 EP disclosed
WO-2015144290-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2015-10-01 WO disclosed
WO-2015144290-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2015-10-01 WO disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 US disclosed
EP-1943250-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-07-16 EP disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 WO disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 WO disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 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 (4 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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 OPRK1 20/4885OPRD1 15/4885OPRL1 6/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C OPRK1 129/4885OPRD1 123/4885OPRL1 63/4885
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 OPRK1 287/4885OPRD1 824/4885OPRL1 347/4885
US-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 OPRK1 1370/4885OPRD1 1217/4885OPRL1 1946/4885

“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.