SCHEMBL6741554

SCHEMBL6741554

CCOc1cccc(C2(O)C(C)CCCC2CN(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.52
SLC6A2 P23975 16/20 0.52
OPRM1 P35372 16/20 0.52
OPRD1 P41143 3/20 0.52
OPRK1 P41145 3/20 0.52
SLC22A1 O15245 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52

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
SCHEMBL7178154 0.92 SLC6A4 (0.45) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6743000 0.89 SLC6A4 (0.50) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4374880 0.88 SLC6A2 (0.66) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6742994 0.88 SLC6A2 (0.52) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6786743 0.87 SLC6A2 (0.48) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6744430 0.87 SLC6A4 (0.48) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6743948 0.86 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6741500 0.85 SLC6A4 (0.54) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL6743971 0.84 SLC6A4 (0.50) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL7172155 0.84 SLC6A4 (0.60) SLC6A4SLC6A2OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322593-B1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP claimed
CN-1478067-A O-substituted 6-methyl-tramadol derivatives 2004-02-25 CN claimed
US-20030220389-A1 O-substituted 6-methyltramadol derivatives GRUENENTHAL GMBH (DE) 2003-11-27 US claimed
EP-1322593-A1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP claimed
WO-2002026694-A1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES Grünenthal GmbH (DE) 2002-04-04 WO claimed
US-6828345-B2 Tertiary amines such as 2-dimethylaminomethyl-1-(3-methoxy-phenyl)-6-methylcyclohexanol, used as analgesics GRUENENTHAL GMBH (DE) 2004-12-07 US disclosed
EP-1322593-B1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP disclosed
CN-1478067-A O-substituted 6-methyl-tramadol derivatives 2004-02-25 CN disclosed
US-20030220389-A1 O-substituted 6-methyltramadol derivatives GRUENENTHAL GMBH (DE) 2003-11-27 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 (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-20030220389-A1 O-substituted 6-methyltramadol derivatives OPRK1, TPMT, OPRM1 SLC6A4 65/4885SLC6A2 127/4885OPRM1 3/4885

“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.