SCHEMBL380515

SCHEMBL380515

CNC1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 19/20 1.00
OGFRL1 Q5TC84 13/20 1.00
OPRL1 P41146 10/20 0.70
OPRD1 P41143 3/20 0.70
OPRK1 P41145 3/20 0.70

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
SCHEMBL2829900 0.88 OPRM1 (0.80) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL566559 0.87 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL566686 0.87 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL381022 0.87 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL29930643 0.87 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL4762082 0.87 OPRM1 (0.77) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL16153874 0.86 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681581 0.85 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL13805851 0.84 OPRM1 (0.73) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL380587 0.84 OPRM1 (0.72) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150342929-A1 Mixed ORL1/mu-agonists for the Treatment of Pain GRUENENTHAL GMBH (DE) 2015-12-03 US claimed
US-9120797-B2 Process for preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds GRUENENTHAL GMBH (DE) 2015-09-01 US claimed
EP-2062898-B1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2013-10-02 EP claimed
EP-2206498-B9 Mixed ORL1/[mu] agonists for treating pain GRUENENTHAL GMBH (DE) 2012-04-18 EP claimed
EP-2206498-B1 Mixed ORL1/[mu] agonists for treating pain GRUENENTHAL GMBH (DE) 2012-01-25 EP claimed
US-20110319440-A1 Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds GRUENENTHAL GMBH (DE) 2011-12-29 US claimed
US-8053576-B2 Treating conditions associated with the nociceptin/ORL1 receptor system, e.g. pain, drug withdrawal, anxiety, muscle relaxants, anxiolytic agents; e.g. 1,1-[3-dimethylamino-3-(pyridin-2-yl)pentamethylene]-3,4-dihydro-1H-2,9-diazafluorene GRUENENTHAL GMBH (DE) 2011-11-08 US claimed
US-7951948-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20110015220-A1 MIXED ORL1/MU-AGONISTS FOR THE TREATMENT OF PAIN GRUNENTHAL GMBH (DE) 2011-01-20 US claimed
EP-2233487-A1 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2010-09-29 EP claimed
US-7799931-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-09-21 US claimed
EP-2081571-B1 MIXED ORL 1/µ AGONISTS FOR TREATING PAIN GRUENENTHAL GMBH (DE) 2010-08-25 EP claimed
EP-2206498-A1 Mixed ORL1/[mu] agonists for treating pain Grünenthal GmbH (DE) 2010-07-14 EP claimed
EP-2116544-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-11-11 EP claimed
EP-1560835-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-09-02 EP claimed
US-20090163716-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-25 US claimed
US-20090156626-A1 Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds GRENENTHAL GMBH (DE) 2009-06-18 US claimed
EP-2062898-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-05-27 EP claimed
US-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain GRUNENTHAL GMBH (DE) 2008-05-29 US claimed
US-20060004034-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2006-01-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20060004034-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, HSD17B7 OPRM1 1225/4885OGFRL1 1871/4885OPRL1 470/4885
US-20110015220-A1 MIXED ORL1/MU-AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRM1, OPRK1 OPRM1 2/4885OGFRL1 5/4885OPRL1 1/4885
US-20110319440-A1 Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds PKD1, VKORC1, PKD2 OPRM1 2030/4885OGFRL1 1903/4885OPRL1 1031/4885
US-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain OPRL1, OPRM1, OPRK1 OPRM1 2/4885OGFRL1 5/4885OPRL1 1/4885
US-20090163716-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS PKD1, PKD2, HSD17B7 OPRM1 1225/4885OGFRL1 1871/4885OPRL1 470/4885
US-20150342929-A1 Mixed ORL1/mu-agonists for the Treatment of Pain OPRL1, OPRM1, OPRK1 OPRM1 2/4885OGFRL1 5/4885OPRL1 1/4885
US-20090156626-A1 Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds PKD1, VKORC1, PKD2 OPRM1 1881/4885OGFRL1 1971/4885OPRL1 1085/4885

“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.