SCHEMBL4376530

SCHEMBL4376530

CN(C)CC1CCCC(Cc2ccccc2)C1(O)C#Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.38
SLC6A4 P31645 7/20 0.38
OPRM1 P35372 6/20 0.38
ARRB1 P49407 1/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 4/20 0.37
SLC22A1 O15245 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
OPRL1 P41146 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGES O14684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
GRM5 P41594 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
SCHEMBL4368776 0.85 SLC6A4 (0.40) SLC6A2SLC6A4OPRM1ARRB1OPRD1
SCHEMBL5169810 0.83 SLC6A4 (0.46) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4372482 0.81 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4371906 0.77 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4374133 0.76 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4372403 0.75 AGER (0.39) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4372000 0.73 SLC6A2 (0.43) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4371782 0.73 SLC6A2 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4371889 0.72 CYP2C9 (0.39) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4375515 0.72 OPRM1 (0.41) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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.