SCHEMBL4369264

SCHEMBL4369264

CC1CCCC(CN(C)C)C1(O)Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRK1 P41145 6/20 0.41
OPRM1 P35372 6/20 0.41
OPRD1 P41143 5/20 0.41
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 11/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SLC22A1 O15245 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A3 Q01959 3/20 0.38
SSTR1 P30872 1/20 0.36
SSTR4 P31391 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
SCHEMBL4374881 0.87 SLC6A4 (0.41) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4372256 0.86 OPRK1 (0.41) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4373667 0.86 OPRD1 (0.41) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4370558 0.85 SLC6A4 (0.36) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4370360 0.79 SLC6A2 (0.48) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4376535 0.78 SMN1; SMN2 (0.52) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4377558 0.78 OPRM1 (0.38) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4369362 0.78 TRPA1 (0.39) SMN1; SMN2OPRK1OPRM1OPRD1SLC6A2
SCHEMBL4373652 0.77 GAA (0.38) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4373148 0.75 OPRM1 (0.43) SMN1; SMN2OPRK1OPRM1OPRD1SLC6A2

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 SMN1; SMN2 2970/4885TDP1 3827/4885OPRK1 75/4885

“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.