SCHEMBL4370558

SCHEMBL4370558

CC1CCCC(CN(C)C)C1(O)Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.36
OPRM1 P35372 6/20 0.36
SLC6A2 P23975 6/20 0.36
OPRD1 P41143 4/20 0.36
OPRK1 P41145 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
SLC6A3 Q01959 1/20 0.35
POLB P06746 1/20 0.34
SLC22A1 O15245 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
LSS P48449 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4369362 0.87 TRPA1 (0.39) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4369264 0.85 SMN1; SMN2 (0.42) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4372403 0.83 AGER (0.39) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4377558 0.80 OPRM1 (0.38) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4374881 0.79 SLC6A4 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4373667 0.78 OPRD1 (0.41) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4631249 0.76 SLC6A4 (0.43) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4373652 0.76 GAA (0.38) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4371073 0.75 SLC6A2 (0.38) SLC6A4OPRM1SLC6A2OPRD1OPRK1
SCHEMBL4373148 0.74 OPRM1 (0.43) SLC6A4OPRM1SLC6A2OPRD1OPRK1

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 15 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-1466567-A Substituted 1-aminobutan-3-01 derivatives 2004-01-07 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
CN-100391933-C Substituted 1-aminobutan-3-01 derivatives GRLENTHAL GMBH (DE) 2008-06-04 CN 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-1466567-A Substituted 1-aminobutan-3-01 derivatives 2004-01-07 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 SLC6A4 3269/4885OPRM1 118/4885SLC6A2 3734/4885

“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.