SCHEMBL4373200

SCHEMBL4373200

COc1ccccc1C1(O)C(C)CCCC1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.42
SLC6A4 P31645 12/20 0.42
OPRM1 P35372 8/20 0.42
OPRD1 P41143 4/20 0.42
SLC22A1 O15245 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
OPRK1 P41145 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4373764 0.84 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL27581954 0.83 SLC6A4 (0.44) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL6747964 0.80 SLC6A4 (0.41) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL4374201 0.79 SLC6A2 (0.50) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL6865381 0.79 SLC6A2 (0.60) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
Hydrochloric Acid SCHEMBL8686122 0.78 SLC6A2 (0.59) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL4371100 0.77 SLC6A4 (0.49) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL4373892 0.76 SLC6A4 (0.42) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL4369290 0.76 SLC6A4 (0.38) SLC6A2SLC6A4OPRM1OPRD1SLC22A1
SCHEMBL4374880 0.76 SLC6A2 (0.66) SLC6A2SLC6A4OPRM1OPRD1SLC22A1

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-1322592-B2 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2009-06-17 EP claimed
US-7022739-B2 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2006-04-04 US claimed
EP-1322592-B1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP claimed
CN-1478067-A O-substituted 6-methyl-tramadol derivatives 2004-02-25 CN claimed
US-20030216393-A1 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2003-11-20 US claimed
EP-1322592-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP claimed
WO-2002028817-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 2002-04-11 WO claimed
EP-1322592-B2 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2009-06-17 EP disclosed
US-7022739-B2 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2006-04-04 US disclosed
EP-1322592-B1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP disclosed
CN-1478067-A O-substituted 6-methyl-tramadol derivatives 2004-02-25 CN disclosed
US-20030216393-A1 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2003-11-20 US disclosed
EP-1322592-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP disclosed
WO-2002028817-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 2002-04-11 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-20030216393-A1 Substituted 1-aminobutan-3-ol compounds CYP3A43, UGT1A3, UGT2B7 SLC6A2 3734/4885SLC6A4 3269/4885OPRM1 118/4885

“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.