SCHEMBL517674

SCHEMBL517674

CN(C)C1(c2ccsc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.75
OGFRL1 Q5TC84 16/20 0.75
OPRL1 P41146 7/20 0.75
OPRD1 P41143 3/20 0.75
OPRK1 P41145 3/20 0.75

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
SCHEMBL10038864 1.00 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL29353179 0.86 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL566256 0.86 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL154336 0.86 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL10035739 0.86 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL381482 0.86 OPRM1 (0.77) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL15007659 0.85 OPRM1 (0.98) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681595 0.83 OPRM1 (0.74) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL15007271 0.81 OPRM1 (0.89) OPRM1OGFRL1OPRL1OPRD1OPRK1
Cebranopadol SCHEMBL29596395 0.80 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2740476-B1 Cis-tetrahydro-spiro(cyclohexan-1,1'-pyrido[3,4-b]indol)-4-amine derivatives GRUENENTHAL GMBH (DE) 2018-12-05 EP disclosed
US-20170313703-A1 Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2017-11-02 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
US-20160159787-A1 Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2016-06-09 US disclosed
US-20150342929-A1 Mixed ORL1/mu-agonists for the Treatment of Pain GRUENENTHAL GMBH (DE) 2015-12-03 US disclosed
US-20150342929-A1 Mixed ORL1/mu-agonists for the Treatment of Pain GRUENENTHAL GMBH (DE) 2015-12-03 US disclosed
US-20140303125-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2014-10-09 US disclosed
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 US disclosed
US-20110015220-A1 MIXED ORL1/MU-AGONISTS FOR THE TREATMENT OF PAIN GRUNENTHAL GMBH (DE) 2011-01-20 US disclosed
US-20110015220-A1 MIXED ORL1/MU-AGONISTS FOR THE TREATMENT OF PAIN GRUNENTHAL GMBH (DE) 2011-01-20 US disclosed
EP-2081571-B1 MIXED ORL 1/µ AGONISTS FOR TREATING PAIN GRUENENTHAL GMBH (DE) 2010-08-25 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-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain GRUNENTHAL GMBH (DE) 2008-05-29 US disclosed
US-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain GRUNENTHAL GMBH (DE) 2008-05-29 US disclosed
WO-2008040481-A1 MIXED ORL 1/μ AGONISTS FOR TREATING PAIN Grünenthal GmbH (DE) 2008-04-10 WO 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 (9 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-20110015220-A1 MIXED ORL1/MU-AGONISTS FOR THE TREATMENT OF PAIN OPRL1, OPRM1, OPRK1 OPRM1 2/4885OGFRL1 5/4885OPRL1 1/4885
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-20170313703-A1 Cis-tetrahydro-spiro(cyclohexane-1,1?-pyrido[3,4-b]indole)-4-amine Compounds OPRL1, OPRK1, OPRM1 OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885
US-20080125475-A1 Mixed ORL1/mu-agonists for the treatment of pain OPRL1, OPRM1, OPRK1 OPRM1 2/4885OGFRL1 5/4885OPRL1 1/4885
US-20140303125-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885
US-20160159787-A1 Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds OPRL1, OPRK1, OPRM1 OPRM1 3/4885OGFRL1 5/4885OPRL1 1/4885
US-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885
US-20150342929-A1 Mixed ORL1/mu-agonists for the Treatment of Pain OPRL1, OPRM1, OPRK1 OPRM1 2/4885OGFRL1 5/4885OPRL1 1/4885

“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.