SCHEMBL5845800

SCHEMBL5845800

CN(C)C(c1ccccc1)C1CCCCC1(O)Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.42
SLC6A2 P23975 7/20 0.42
CCR5 P51681 1/20 0.41
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A3 Q01959 6/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 2/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
KDR P35968 1/20 0.35
HSD11B1 P28845 1/20 0.35
OPRL1 P41146 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
Hydrochloric Acid SCHEMBL5846073 0.99 SLC6A2 (0.42) SLC6A4SLC6A2CCR5ALDH1A1GAA
SCHEMBL6942930 0.94 SLC6A2 (0.45) SLC6A4SLC6A2CCR5SLC6A3OPRM1
Hydrochloric Acid SCHEMBL7738593 0.93 SLC6A2 (0.44) SLC6A4SLC6A2CCR5SLC6A3OPRM1
SCHEMBL6681587 0.90 SLC6A4 (0.41) SLC6A4SLC6A2CCR5ALDH1A1GAA
SCHEMBL6936762 0.89 SLC6A9 (0.39) SLC6A4SLC6A3OPRM1LMNAKDR
SCHEMBL5846308 0.88 CCR5 (0.38) SLC6A4SLC6A2CCR5SLC6A3MEN1
SCHEMBL6936962 0.88 SLC6A4 (0.40) SLC6A4SLC6A2CCR5SLC6A3OPRL1
Hydrochloric Acid SCHEMBL7741182 0.88 OPRL1 (0.39) SLC6A4SLC6A3OPRM1LMNAKDR
SCHEMBL5160201 0.87 CCR5 (0.41) SLC6A4SLC6A2CCR5SLC6A3MEN1
Hydrochloric Acid SCHEMBL5847559 0.87 CCR5 (0.37) SLC6A4SLC6A2CCR5SLC6A3MEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012099-B2 Using substituted 4-amino-1- phenylbutan-2-ol compounds in form of their racemates, enantiomers, diastereoisomers or corresponding bases or corresponding salts of acids as regulators for the nociceptin/orphanin FQ ligands in drugs GRUENENTHAL GMBH (DE) 2006-03-14 US claimed
EP-1253917-B1 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-02-16 EP claimed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed
US-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-01-09 US claimed
EP-1253917-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-11-06 EP claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US claimed
WO-2001047506-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2001-07-05 WO claimed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP claimed
US-7012099-B2 Using substituted 4-amino-1- phenylbutan-2-ol compounds in form of their racemates, enantiomers, diastereoisomers or corresponding bases or corresponding salts of acids as regulators for the nociceptin/orphanin FQ ligands in drugs GRUENENTHAL GMBH (DE) 2006-03-14 US disclosed
EP-1253917-B1 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-02-16 EP disclosed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed
US-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-01-09 US disclosed
EP-1253917-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-11-06 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
WO-2001047506-A2 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2001-07-05 WO disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP 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-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments OPRL1, OPRM1, OPRK1 SLC6A4 1019/4885SLC6A2 1098/4885CCR5 1598/4885

“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.