SCHEMBL4077425

SCHEMBL4077425

COc1cccc(-c2cn([C@@H](c3cccc(F)c3)[C@H](O)COS(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.45
SLC6A4 P31645 9/20 0.45
BRD4 O60885 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2B Q13224 1/20 0.34
STAT1 P42224 1/20 0.34
PRKCA P17252 2/20 0.33
GSK3B P49841 2/20 0.33
CYP24A1 Q07973 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4077424 1.00 SLC6A2 (0.45) SLC6A2SLC6A4BRD4MAPTTP53
SCHEMBL4078702 0.94 SLC6A2 (0.49) SLC6A2SLC6A4MAPTTP53L3MBTL1
SCHEMBL4078700 0.94 SLC6A2 (0.49) SLC6A2SLC6A4MAPTTP53L3MBTL1
SCHEMBL4088970 0.93 SLC6A2 (0.45) SLC6A2SLC6A4TP53L3MBTL1CYP24A1
SCHEMBL4088968 0.93 SLC6A2 (0.45) SLC6A2SLC6A4TP53L3MBTL1CYP24A1
SCHEMBL4080899 0.92 SLC6A2 (0.47) SLC6A2SLC6A4MAPTTP53L3MBTL1
SCHEMBL4080902 0.92 SLC6A2 (0.47) SLC6A2SLC6A4MAPTTP53L3MBTL1
SCHEMBL4088846 0.92 SLC6A2 (0.49) SLC6A2SLC6A4MAPTTP53L3MBTL1
SCHEMBL4088844 0.92 SLC6A2 (0.49) SLC6A2SLC6A4MAPTTP53L3MBTL1
SCHEMBL4077156 0.91 SLC6A2 (0.49) SLC6A2SLC6A4MAPTTP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 (3 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 SLC6A2 8/4885SLC6A4 13/4885BRD4 4736/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885BRD4 4736/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885BRD4 4736/4885

“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.