SCHEMBL4372937

SCHEMBL4372937

COc1cccc(CC2(O)C(CN(C)C)CCCC2c2cccc(OC)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.52
SLC6A2 P23975 13/20 0.52
OPRM1 P35372 11/20 0.52
OPRD1 P41143 4/20 0.52
OPRK1 P41145 4/20 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
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4370360 0.93 SLC6A2 (0.48) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4375443 0.90 SLC6A2 (0.48) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4369347 0.90 SLC6A2 (0.48) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4369338 0.87 SLC6A2 (0.49) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4372055 0.85 SLC6A2 (0.48) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4369356 0.84 SLC6A4 (0.53) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4370231 0.83 SLC6A2 (0.46) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4371896 0.81 SLC6A2 (0.62) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4373762 0.78 SLC6A4 (0.41) SLC6A4SLC6A2OPRM1OPRD1OPRK1
SCHEMBL4373997 0.78 SLC6A4 (0.53) 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 12 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
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
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 SLC6A4 3269/4885SLC6A2 3734/4885OPRM1 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.