SCHEMBL5845811

SCHEMBL5845811

CN(C)C(c1cccs1)C1CCCCC1(O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 1/20 0.37
CCR2 P41597 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
EPHX1 P07099 3/20 0.35
CNR1 P21554 1/20 0.35
STS P08842 1/20 0.35
SLC6A9 P48067 1/20 0.35
KCNN4 O15554 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL5845250 0.99 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CCR2OPRM1
SCHEMBL5162722 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL5846576 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CCR2OPRM1
Hydrochloric Acid SCHEMBL5845093 0.84 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
Hydrochloric Acid SCHEMBL5845587 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CCR2OPRM1
SCHEMBL6937438 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL6936266 0.83 MEN1 (0.32) NPC1RAB9A
SCHEMBL6939785 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL6936977 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL6934438 0.77 OPRK1 (0.40) SLC6A2SLC6A4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC6A2 1098/4885SLC6A4 1019/4885SLC6A3 1861/4885

“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.