SCHEMBL4717635

SCHEMBL4717635

COc1cccc(-c2cn([C@@H](c3cccc(F)c3)[C@H](O)CO)c3ccccc23)c1OC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.51
SLC6A4 P31645 16/20 0.51
PLA2G4A P47712 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
SCHEMBL4087078 0.93 SLC6A2 (0.53) SLC6A2SLC6A4PLA2G4A
SCHEMBL4717374 0.90 SLC6A2 (0.66) SLC6A2SLC6A4
SCHEMBL4718030 0.90 SLC6A2 (0.66) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5472917 0.89 SLC6A2 (0.65) SLC6A2SLC6A4
SCHEMBL4717677 0.86 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL4717111 0.86 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL4077240 0.84 SLC6A2 (0.54) SLC6A2SLC6A4
SCHEMBL4076938 0.84 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL4086398 0.84 SLC6A2 (0.55) SLC6A2SLC6A4
SCHEMBL4717198 0.84 SLC6A2 (0.49) SLC6A2SLC6A4

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 16/4885PLA2G4A 1667/4885

“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.