SCHEMBL4371850

SCHEMBL4371850

CN(C)CC1CCCC(Cc2ccccc2)C1(O)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.59
OPRM1 P35372 10/20 0.59
OPRK1 P41145 9/20 0.59
SLC6A4 P31645 8/20 0.59
SLC6A2 P23975 6/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL4374133 0.89 SLC6A2 (0.48) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL4370610 0.88 SLC6A4 (0.45) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL4374260 0.87 SLC6A2 (0.44) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL4370585 0.87 SMN1; SMN2 (0.48) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL4368690 0.85 SLC6A2 (0.61) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL4375419 0.84 OPRK1 (0.45) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL6744715 0.83 OPRM1 (0.64) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL6784987 0.83 OPRM1 (0.64) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL6741527 0.83 OPRM1 (0.64) OPRD1OPRM1OPRK1SLC6A4SLC6A2
SCHEMBL4372364 0.82 SLC6A4 (0.40) OPRD1OPRM1OPRK1SLC6A4SLC6A2

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 16 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
CN-100391933-C Substituted 1-aminobutan-3-01 derivatives GRLENTHAL GMBH (DE) 2008-06-04 CN 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 OPRD1 103/4885OPRM1 118/4885OPRK1 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.