SCHEMBL4081713

SCHEMBL4081713

OC[C@H]1O[C@@H]1c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 15/20 0.36
ABCB11 O95342 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LGALS1 P09382 2/20 0.33
LGALS3 P17931 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
TRPM4 Q8TD43 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32

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
SCHEMBL4718151 1.00 SLC5A2 (0.36) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL4718546 0.87 TRPM5 (0.41) SLC5A2SLC5A1SLC6A3LGALS3TRPM4
SCHEMBL4986893 0.82 SLC5A2 (0.50) SLC5A2
SCHEMBL4087278 0.82 SLC5A2 (0.50) SLC5A2
SCHEMBL4987870 0.82 SLC5A2 (0.50) SLC5A2
SCHEMBL4717027 0.82 SLC5A2 (0.50) SLC5A2
SCHEMBL19329994 0.79 EPHX1 (0.43) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL4077235 0.79 EPHX1 (0.43) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL4086552 0.79 EPHX1 (0.43) SLC5A2ABCB11ADORA3SLC5A1SLC6A4
SCHEMBL4078798 0.75 SLC5A2 (0.46) SLC5A2SLC5A1SLC6A3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638512-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-12-29 US disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
US-20080255102-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2008-10-16 US disclosed
US-7414052-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2008-08-19 US disclosed
EP-1730127-B1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-06-25 EP disclosed
US-20080146645-A1 Process for Preparing Indolinone Phenylaminopropanol Derivatives WYETH (US) 2008-06-19 US disclosed
US-20080146645-A1 Process for Preparing Indolinone Phenylaminopropanol Derivatives WYETH (US) 2008-06-19 US disclosed
US-20080146645-A1 Process for Preparing Indolinone Phenylaminopropanol Derivatives WYETH (US) 2008-06-19 US disclosed
WO-2008024492-A2 INDOLINONE PHENYLAMINOPROPANOL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF WYETH (US) 2008-02-28 WO disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
EP-1730127-A1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth, A Corporation of the State of Delaware (US) 2006-12-13 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
WO-2005097761-A1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US 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 (7 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS SLC5A2 48/4885ABCB11 1814/4885ADORA3 1470/4885
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC5A2 80/4885ABCB11 971/4885ADORA3 1226/4885
US-20080146645-A1 Process for Preparing Indolinone Phenylaminopropanol Derivatives IDO1, CYP1A1, IDO2 SLC5A2 4261/4885ABCB11 946/4885ADORA3 581/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC5A2 80/4885ABCB11 971/4885ADORA3 1226/4885
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC5A2 80/4885ABCB11 971/4885ADORA3 1226/4885
US-20080255102-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC5A2 30/4885ABCB11 777/4885ADORA3 845/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC5A2 80/4885ABCB11 971/4885ADORA3 1226/4885

“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.