SCHEMBL682339

SCHEMBL682339

Cc1ccc2[nH]c3c(c2c1)CCNC31CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 1.00
OGFRL1 Q5TC84 14/20 1.00
OPRL1 P41146 10/20 0.79
OPRD1 P41143 3/20 0.53
OPRK1 P41145 3/20 0.53

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
SCHEMBL10038869 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL517231 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL517133 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038853 0.89 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1304293 0.88 OPRM1 (0.98) OPRM1OGFRL1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1303569 0.87 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL1304819 0.87 OPRM1 (0.76) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL734500 0.85 OPRM1 (0.73) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681585 0.83 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL517453 0.82 OPRM1 (0.86) 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 US claimed
EP-2233487-A1 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2010-09-29 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
EP-2062898-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-05-27 EP claimed
US-20080221141-A1 1 1,1-(3-dimethylamino-3-phenylpentamethylene)-1,3,4,9-tetrahydropyrano[3,4-b]indole; affinity to mu -opioid receptor GRUENENTHAL GMBH (DE) 2008-09-11 US claimed
US-9862719-B2 Process or preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds GRUENENTHAL GMBH (DE) 2018-01-09 US disclosed
US-9862719-B2 Process or preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds GRUENENTHAL GMBH (DE) 2018-01-09 US disclosed
US-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2016-09-22 US disclosed
US-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2016-09-22 US disclosed
US-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2016-09-22 US disclosed
EP-2233487-B1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-05-18 EP disclosed
EP-2116544-B1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-05-18 EP disclosed
US-7547707-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2009-06-16 US disclosed
EP-2062898-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-05-27 EP disclosed
EP-2062898-A2 Spirocyclic cyclohexane derivatives Grünenthal GmbH (DE) 2009-05-27 EP disclosed
US-20080221141-A1 1 1,1-(3-dimethylamino-3-phenylpentamethylene)-1,3,4,9-tetrahydropyrano[3,4-b]indole; affinity to mu -opioid receptor GRUENENTHAL GMBH (DE) 2008-09-11 US disclosed
US-20080221141-A1 1 1,1-(3-dimethylamino-3-phenylpentamethylene)-1,3,4,9-tetrahydropyrano[3,4-b]indole; affinity to mu -opioid receptor GRUENENTHAL GMBH (DE) 2008-09-11 US disclosed
US-20080221141-A1 1 1,1-(3-dimethylamino-3-phenylpentamethylene)-1,3,4,9-tetrahydropyrano[3,4-b]indole; affinity to mu -opioid receptor GRUENENTHAL GMBH (DE) 2008-09-11 US disclosed
US-20060004034-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2006-01-05 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-20060004034-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, HSD17B7 OPRM1 1225/4885OGFRL1 1871/4885OPRL1 470/4885
US-20080221141-A1 1 1,1-(3-dimethylamino-3-phenylpentamethylene)-1,3,4,9-tetrahydropyrano[3,4-b]indole; affinity to mu -opioid receptor OPRM1, OPRK1, OPRD1 OPRM1 1/4885OGFRL1 34/4885OPRL1 4/4885
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885
US-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885

“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.