SCHEMBL4375419

SCHEMBL4375419

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.45
OPRM1 P35372 8/20 0.45
OPRD1 P41143 7/20 0.45
SLC6A2 P23975 6/20 0.44
SLC6A4 P31645 6/20 0.44
SLC6A3 Q01959 1/20 0.44
OPRL1 P41146 2/20 0.43
KCNN4 O15554 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC22A1 O15245 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
KDM1A O60341 1/20 0.39

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
SCHEMBL4373199 0.88 LMNA (0.47) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4374260 0.86 SLC6A2 (0.44) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4374133 0.85 SLC6A2 (0.48) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4371850 0.84 OPRD1 (0.59) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4370610 0.84 SLC6A4 (0.45) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4372042 0.84 SLC6A2 (0.47) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4370585 0.84 SMN1; SMN2 (0.48) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4372636 0.83 OPRM1 (0.41) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4368690 0.82 SLC6A2 (0.61) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL4372443 0.80 SLC6A2 (0.39) OPRK1OPRM1OPRD1SLC6A2SLC6A4

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 OPRK1 75/4885OPRM1 118/4885OPRD1 103/4885

“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.