SCHEMBL4663225

SCHEMBL4663225

COc1cccc(C2(O)CCC(O)CC2CN(C)C)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.71
SLC6A4 P31645 8/20 0.71
OPRM1 P35372 5/20 0.71
OPRK1 P41145 5/20 0.71
OPRD1 P41143 5/20 0.71
SLC22A1 O15245 3/20 0.71
CHRM2 P08172 1/20 0.71
CHRM1 P11229 1/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 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
SCHEMBL5626717 1.00 SLC6A2 (0.71) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL5630256 1.00 SLC6A2 (0.71) SLC6A2SLC6A4OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL5348209 0.99 SLC6A2 (0.70) SLC6A2SLC6A4OPRM1OPRK1OPRD1
Butyric Acid SCHEMBL4665884 0.90 OPRD1 (0.59) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL14503534 0.88 SLC6A2 (0.71) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4665388 0.87 SLC6A4 (0.55) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4665322 0.87 SLC6A2 (0.70) SLC6A2SLC6A4OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL5347029 0.86 SLC6A4 (0.54) SLC6A2SLC6A4OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL4663747 0.86 SLC6A2 (0.69) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4665375 0.85 SLC6A2 (0.67) SLC6A2SLC6A4OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP disclosed
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-7168937-B2 Method for the enzymatic resolution of the racemates of aminomethyl-aryl-cyclohexanol derivatives GRUENENTHAL GMBH (DE) 2007-01-30 US disclosed
US-7168937-B2 Method for the enzymatic resolution of the racemates of aminomethyl-aryl-cyclohexanol derivatives GRUENENTHAL GMBH (DE) 2007-01-30 US disclosed
EP-1368299-B1 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2006-07-26 EP disclosed
US-7041662-B2 Substituted benzo [b] azepin-2-one compounds GRUNENTHAL GMBH (DE) 2006-05-09 US disclosed
EP-1444206-B1 SUBSTITUTED BENZO[B]AZEPIN-2-ONE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2006-03-15 EP disclosed
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds GRUNENTHAL GMBH (DE) 2004-11-11 US disclosed
EP-1444212-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2004-08-11 EP disclosed
EP-1444206-A1 SUBSTITUTED BENZO B AZEPIN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2004-08-11 EP disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US disclosed
EP-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP disclosed
WO-2003037879-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 WO disclosed
WO-2003037873-A1 SUBSTITUTED BENZO[B]AZEPIN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 WO disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO disclosed
EP-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 EP 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 (2 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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT SLC6A2 611/4885SLC6A4 358/4885OPRM1 5/4885
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds NQO2, NQO1, CYP2C8 SLC6A2 1292/4885SLC6A4 1389/4885OPRM1 661/4885

“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.