SCHEMBL5162722

SCHEMBL5162722

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 2/20 0.45
OPRK1 P41145 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRL1 P41146 2/20 0.41
GRIN2B Q13224 1/20 0.40
SLC6A3 Q01959 1/20 0.39
OPRD1 P41143 1/20 0.39
EPHX1 P07099 5/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TACR1 P25103 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTR1E P28566 1/20 0.37
S1PR3 Q99500 1/20 0.37
PTGES O14684 1/20 0.37

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 SCHEMBL5845093 0.99 SLC6A2 (0.44) SLC6A2SLC6A4OPRK1OPRM1OPRL1
SCHEMBL6937438 0.92 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRL1GRIN2B
SCHEMBL6939785 0.91 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRL1SLC6A3
SCHEMBL6936977 0.91 SLC6A2 (0.40) SLC6A2SLC6A4OPRK1OPRM1OPRL1
SCHEMBL5846576 0.88 SLC6A2 (0.40) SLC6A2SLC6A4OPRK1OPRM1OPRL1
Hydrochloric Acid SCHEMBL5845587 0.87 SLC6A2 (0.39) SLC6A2SLC6A4OPRK1OPRM1OPRL1
SCHEMBL5160201 0.87 CCR5 (0.41) SLC6A2SLC6A4OPRK1OPRM1OPRL1
SCHEMBL6936762 0.86 SLC6A9 (0.39) SLC6A4OPRK1OPRM1OPRL1SLC6A3
Hydrochloric Acid SCHEMBL7741182 0.85 OPRL1 (0.39) SLC6A4OPRK1OPRM1OPRL1SLC6A3
SCHEMBL5845811 0.85 SLC6A2 (0.38) SLC6A2SLC6A4OPRM1OPRL1SLC6A3

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 19 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
EP-1406857-B1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARYL-BUT-2-ENYLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-02-21 EP 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
US-7005497-B2 Liquid-crystalline polyester production method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-28 US disclosed
US-20050080227-A1 Liquid-crystalline polyester production method SUMITOMO CHEMICAL COMPANY, LIMITED 2005-04-14 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 (2 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 1019/4885OPRK1 3/4885
US-20050080227-A1 Liquid-crystalline polyester production method COASY, EEF1E1, CYP4F11 SLC6A2 4481/4885SLC6A4 4267/4885OPRK1 3582/4885

“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.