SCHEMBL4373764

SCHEMBL4373764

COc1ccccc1C1(O)C(Cc2ccccc2)CCCC1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.42
SLC6A4 P31645 8/20 0.42
OPRM1 P35372 6/20 0.42
OPRD1 P41143 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.39
CHRM4 P08173 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
EDNRA P25101 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
SCHEMBL4371909 0.89 HTR2A (0.39) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL27606625 0.84 SLC6A2 (0.47) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4373200 0.84 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4372736 0.84 SLC6A2 (0.39) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4371775 0.81 SLC6A4 (0.47) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4374133 0.81 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4368690 0.79 SLC6A2 (0.61) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4372060 0.79 TRPA1 (0.44) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4378791 0.77 OPRM1 (0.41) SLC6A2SLC6A4OPRM1OPRD1KMT2A
SCHEMBL4374201 0.76 SLC6A2 (0.50) SLC6A2SLC6A4OPRM1OPRD1KMT2A

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.