SCHEMBL4373199

SCHEMBL4373199

CN(C)CC1CCCC(Cc2ccccc2)C1(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 3/20 0.44
OPRM1 P35372 4/20 0.41
OPRL1 P41146 1/20 0.41
SLC6A2 P23975 4/20 0.39
TRPA1 O75762 2/20 0.39
OPRK1 P41145 5/20 0.38
OPRD1 P41143 3/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL4372443 0.90 SLC6A2 (0.39) LMNAGAASLC6A4SLC6A3OPRM1
SCHEMBL4375419 0.88 OPRK1 (0.45) SLC6A4SLC6A3OPRM1OPRL1SLC6A2
SCHEMBL4374133 0.88 SLC6A2 (0.48) SLC6A4SLC6A3OPRM1OPRL1SLC6A2
SCHEMBL4372060 0.87 TRPA1 (0.44) SLC6A4OPRM1SLC6A2TRPA1OPRK1
SCHEMBL4378791 0.86 OPRM1 (0.41) SLC6A4SLC6A3OPRM1OPRL1SLC6A2
SCHEMBL4371972 0.85 SLC6A4 (0.41) SLC6A4SLC6A3OPRM1SLC6A2OPRK1
SCHEMBL4372636 0.84 OPRM1 (0.41) GAASLC6A4SLC6A3OPRM1OPRL1
SCHEMBL4371775 0.83 SLC6A4 (0.47) SLC6A4SLC6A3OPRM1OPRL1SLC6A2
SCHEMBL4377674 0.80 SLC6A2 (0.38) SLC6A4OPRM1SLC6A2TRPA1OPRK1
SCHEMBL3241567 0.80 SLC6A2 (0.55) SLC6A4SLC6A3OPRM1SLC6A2OPRK1

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 LMNA 1661/4885GAA 457/4885SLC6A4 3269/4885

“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.