SCHEMBL4372403

SCHEMBL4372403

CN(C)CC1CCCC(Cc2ccccc2)C1(O)Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
OPRM1 P35372 3/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL4372482 0.93 SLC6A2 (0.42) ALDH1A1SLC6A2SLC6A4OPRM1SMN1; SMN2
SCHEMBL4372256 0.88 OPRK1 (0.41) ALDH1A1SLC6A2SLC6A4OPRM1HTT
SCHEMBL4371916 0.85 EPHX2 (0.39) SLC6A2SLC6A4OPRK1MEN1KMT2A
SCHEMBL4374674 0.85 ALDH1A1 (0.38) ALDH1A1SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL4370558 0.83 SLC6A4 (0.36) ALDH1A1SLC6A2SLC6A4OPRM1SMN1; SMN2
SCHEMBL4371972 0.82 SLC6A4 (0.41) AGERALDH1A1SLC6A2SLC6A4OPRM1
SCHEMBL4371889 0.81 CYP2C9 (0.39) ALDH1A1SLC6A2SLC6A4OPRM1SMN1; SMN2
SCHEMBL4375824 0.80 KMT2A (0.39) ALDH1A1SLC6A2SLC6A4OPRM1SMN1; SMN2
SCHEMBL4375515 0.78 OPRM1 (0.41) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL4377337 0.78 SLC18A3 (0.40) SLC6A2SLC6A4OPRM1PKMOPRD1

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 AGER 3121/4885ALDH1A1 388/4885SLC6A2 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.