SCHEMBL5375903

SCHEMBL5375903

CN(C)C(c1ccccc1)C1CCCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.41
SLC18A3 Q16572 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
SCHEMBL11794387 0.98 CA1 (0.54) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6934444 0.85 ALDH1A1 (0.44) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6938929 0.85 MAPT (0.50) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6942334 0.85 MAPT (0.50) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6939049 0.85 ALDH1A1 (0.45) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL11705642 0.84 ALDH1A1 (0.44) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6676417 0.84 CA1 (0.43) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6943357 0.83 MAPT (0.46) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6676360 0.83 OPRL1 (0.44) CA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL6937407 0.83 MAPT (0.60) CA1ALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39530-E1 3-amino-3-arylpropan-1-ol-compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-03-27 US disclosed
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-1289514-B1 USE OF SUBSTITUTED 1-AMINO-5-PHENYLPENTANE-3-OL AND/OR 1-AMINO-6-PHENYLHEXANE-3-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-11-03 EP disclosed
EP-1043306-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and use GRUENENTHAL GMBH (DE) 2004-03-31 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
US-6288278-B1 BENZENE DERIVED AMINO ALCOHOLS AS DRUGS GRUENENTHAL GMBH (DE) 2001-09-11 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
EP-1043306-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and 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 CA1 4634/4885ALDH1A1 659/4885MAPT 4008/4885

“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.