SCHEMBL10038876

SCHEMBL10038876

CN(C)[C@]1(c2cccs2)CC[C@@]2(CC1)OCCc1c3ccccc3[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.71
OGFRL1 Q5TC84 14/20 0.71
OPRL1 P41146 10/20 0.71
OPRD1 P41143 3/20 0.71
OPRK1 P41145 3/20 0.71

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
SCHEMBL158960 1.00 OPRM1 (0.71) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL4765365 0.93 OPRM1 (0.63) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681595 0.88 OPRM1 (0.74) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL381145 0.87 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL13805850 0.87 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL380587 0.84 OPRM1 (0.72) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL13805841 0.84 OPRM1 (0.50) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL380074 0.83 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL12918431 0.83 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1304169 0.82 OPRM1 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20160159787-A1 Cis-tetrahydro-spiro(cyclohexane-1, 1' -pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2016-06-09 US disclosed
EP-2598503-B1 CIS-TETRAHYDRO-SPIRO(CYCLOHEXAN-1,1'-PYRIDO[3,4-B]INDOL)-4-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-03-26 EP disclosed
WO-2012013343-A1 CIS-TETRAHYDROSPIRO(CYCLOHEXANE-1,1'-PYRIDO[3,4-B]INDOL)-4-AMINE DERIVATIVES Grünenthal GmbH (DE) 2012-02-02 WO disclosed
US-20120029006-A1 Cis-tetrahydro-spiro(cyclohexane-1,1'-pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2012-02-02 US disclosed
US-20120029006-A1 Cis-tetrahydro-spiro(cyclohexane-1,1'-pyrido[3,4-b]indole)-4-amine Compounds GRUENENTHAL GMBH (DE) 2012-02-02 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 (3 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-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-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-20120029006-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

“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.