SCHEMBL4719765

SCHEMBL4719765

Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](c2ccccc2)n2ccc3cc(NC(=O)c4cccc(Cl)c4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ENPP2 Q13822 1/20 0.39
GPR17 Q13304 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39

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
SCHEMBL4719767 1.00 SLC6A2 (0.45) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL4719760 1.00 SLC6A2 (0.45) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL4721820 0.94 SLC6A2 (0.45) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL4791080 0.94 SLC6A2 (0.45) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL4721821 0.94 SLC6A2 (0.45) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL4871195 0.93 SLC6A2 (0.42) SLC6A2SLC6A4MAPTPPARGENPP2
SCHEMBL4871208 0.93 SLC6A2 (0.42) SLC6A2SLC6A4MAPTPPARGENPP2
SCHEMBL4871187 0.93 SLC6A2 (0.42) SLC6A2SLC6A4MAPTPPARGENPP2
SCHEMBL4717324 0.90 PPARG (0.41) SLC6A2SLC6A4MAPTPPARGENPP2
SCHEMBL4717325 0.90 PPARG (0.41) SLC6A2SLC6A4MAPTPPARGENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931631-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 a Corporation of the State of Delaware (US) 2008-06-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SLC6A2 8/4885SLC6A4 16/4885MAPT 1848/4885

“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.