SCHEMBL526471

SCHEMBL526471

CN(C)C1(c2cccc(F)c2)CCC2(CC1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.52
OGFRL1 Q5TC84 2/20 0.52
OPRL1 P41146 13/20 0.50
OPRK1 P41145 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
OPRD1 P41143 1/20 0.42
KDM1A O60341 2/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
Hydrochloric Acid SCHEMBL517257 0.98 OPRM1 (0.51) OPRM1OGFRL1OPRL1OPRK1SLC6A2
SCHEMBL3924344 0.83 OPRM1 (0.46) OPRM1OGFRL1OPRL1OPRK1SLC6A2
Hydrochloric Acid SCHEMBL4254876 0.82 OPRL1 (0.44) OPRM1OGFRL1OPRL1OPRK1SLC6A2
SCHEMBL2202322 0.80 OPRL1 (0.70) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL517996 0.80 OPRM1 (0.46) OPRM1OGFRL1OPRL1OPRK1SLC6A2
Hydrochloric Acid SCHEMBL517855 0.79 OPRL1 (0.68) OPRM1OPRL1OPRK1
SCHEMBL4344782 0.79 SLC6A4 (0.62) OPRM1OGFRL1OPRL1OPRK1SLC6A2
SCHEMBL18132846 0.78 HDAC3 (0.46) SLC6A2SLC6A4SLC6A3HDAC3HDAC1
SCHEMBL731991 0.78 OPRL1 (0.49) OPRM1OGFRL1OPRL1OPRK1SLC6A2
SCHEMBL5160213 0.76 OPRM1 (0.50) OPRM1OGFRL1OPRL1OPRK1SLC6A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2740476-A1 Cis-tetrahydro-spiro(cyclohexan-1,1'-pyrido[3,4-b]indol)-4-amine derivatives Grünenthal GmbH (DE) 2014-06-11 EP 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
EP-2041142-B1 SPIROCYCLIC AZAINDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
EP-2598503-A1 CIS-TETRAHYDROSPIRO(CYCLOHEXANE-1,1'-PYRIDO[3,4-B]INDOL)-4-AMINE DERIVATIVES Grünenthal GmbH (DE) 2013-06-05 EP disclosed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US 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
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 EP disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 WO disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 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 (1 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN OPRM1 82/4885OGFRL1 376/4885OPRL1 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.