SCHEMBL4077205

SCHEMBL4077205

Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H](c2cccc(F)c2)n2cc(-c3ccc(C(F)(F)F)cc3)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.45
SLC6A4 P31645 10/20 0.45
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CASR P41180 1/20 0.34
SCN5A Q14524 1/20 0.34
PPARG P37231 2/20 0.33
TACR1 P25103 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
SCHEMBL4077202 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC1A3SLC1A2SLC1A1
SCHEMBL4077161 0.94 SLC6A2 (0.49) SLC6A2SLC6A4L3MBTL1
SCHEMBL4077156 0.94 SLC6A2 (0.49) SLC6A2SLC6A4L3MBTL1
SCHEMBL4082264 0.94 SLC6A2 (0.45) SLC6A2SLC6A4SLC1A3SLC1A2SLC1A1
SCHEMBL4082262 0.94 SLC6A2 (0.45) SLC6A2SLC6A4SLC1A3SLC1A2SLC1A1
SCHEMBL4081257 0.93 SLC6A2 (0.44) SLC6A2SLC6A4SLC1A3SLC1A2SLC1A1
SCHEMBL4081251 0.93 SLC6A2 (0.44) SLC6A2SLC6A4SLC1A3SLC1A2SLC1A1
SCHEMBL4088844 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC1A3SLC1A2SLC1A1
SCHEMBL4088846 0.92 SLC6A2 (0.49) SLC6A2SLC6A4SLC1A3SLC1A2SLC1A1
SCHEMBL4078702 0.90 SLC6A2 (0.49) SLC6A2SLC6A4L3MBTL1

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 13/4885SLC1A3 68/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885SLC1A3 68/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885SLC1A3 68/4885

“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.