SCHEMBL4081731

SCHEMBL4081731

OC[C@H](O)[C@@H](c1ccccc1)N1CCN(CC(F)(F)F)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.42
SLC6A2 P23975 11/20 0.42
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
KCNA5 P22460 2/20 0.30
CYP2C19 P33261 2/20 0.30
KCNH2 Q12809 2/20 0.30

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
SCHEMBL4081725 1.00 SLC6A4 (0.42) SLC6A4SLC6A2MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4080033 0.85 SLC6A2 (0.61) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4080030 0.85 SLC6A2 (0.61) SLC6A4SLC6A2SLC6A3
SCHEMBL4087466 0.78 SLC6A2 (0.49) SLC6A4SLC6A2MEN1KMT2AL3MBTL1
SCHEMBL4087463 0.78 SLC6A2 (0.49) SLC6A4SLC6A2MEN1KMT2AL3MBTL1
SCHEMBL4717012 0.75 SLC6A2 (0.49) SLC6A4SLC6A2
SCHEMBL4090139 0.73 SLC6A2 (0.71) SLC6A4SLC6A2MEN1KMT2AL3MBTL1
SCHEMBL4716250 0.68 SLC6A2 (0.48) SLC6A4SLC6A2
SCHEMBL4090311 0.67 SLC6A2 (0.52) SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4082041 0.67 SLC6A2 (0.56) SLC6A4SLC6A2KCNH2

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 14 patents. 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
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
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-20050222142-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
US-20050222148-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 (5 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885MEN1 2681/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885MEN1 2681/4885
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885MEN1 2681/4885
US-20080255102-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 8/4885SLC6A2 6/4885MEN1 2953/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885MEN1 2681/4885

“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.