SCHEMBL4370231

SCHEMBL4370231

COc1cccc(C2CCCC(CN(C)C)C2(O)Cc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.46
SLC6A4 P31645 12/20 0.46
OPRM1 P35372 9/20 0.46
OPRK1 P41145 6/20 0.46
OPRD1 P41143 3/20 0.46
SLC22A1 O15245 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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 0.87 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4375443 0.86 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4372937 0.83 SLC6A4 (0.52) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4369347 0.80 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4371911 0.80 SLC6A4 (0.53) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4372034 0.79 SLC6A4 (0.54) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4369356 0.79 SLC6A4 (0.53) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4369338 0.77 SLC6A2 (0.49) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4372055 0.76 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRK1OPRD1
SCHEMBL4371916 0.75 EPHX2 (0.39) SLC6A2SLC6A4OPRK1MEN1KMT2A

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 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.