SCHEMBL5845135

SCHEMBL5845135

CN(C)C(c1ccccc1)C1CCCCC1(O)Cc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 3/20 0.34
GRIN2B Q13224 1/20 0.33
OPRM1 P35372 1/20 0.33
KDR P35968 1/20 0.33
HTT P42858 1/20 0.32
OPRL1 P41146 1/20 0.32
S1PR3 Q99500 1/20 0.32
SLC6A9 P48067 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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 SCHEMBL5846901 0.99 CCR5 (0.40) CCR5SLC6A4SLC6A2SLC6A3GRIN2B
SCHEMBL5163369 0.88 CCR5 (0.38) CCR5GRIN2BSLC6A9
SCHEMBL5160201 0.87 CCR5 (0.41) CCR5SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL5163081 0.87 OPRL1 (0.35) CCR5SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL6936762 0.86 SLC6A9 (0.39) SLC6A4SLC6A3OPRM1KDROPRL1
SCHEMBL5846308 0.86 CCR5 (0.38) CCR5SLC6A4SLC6A2SLC6A3OPRM1
Hydrochloric Acid SCHEMBL7741182 0.85 OPRL1 (0.39) SLC6A4SLC6A3OPRM1KDROPRL1
SCHEMBL5845800 0.85 SLC6A4 (0.42) CCR5SLC6A4SLC6A2SLC6A3OPRM1
Hydrochloric Acid SCHEMBL5847559 0.85 CCR5 (0.37) CCR5SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL6937462 0.84 DPP4 (0.37) CCR5OPRL1

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 CCR5 1598/4885SLC6A4 1019/4885SLC6A2 1098/4885

“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.