SCHEMBL4719429

SCHEMBL4719429

OC[C@@H](O)[C@H](c1cc(F)cc(Cl)c1)N1CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.57
SLC6A4 P31645 14/20 0.57
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4087261 0.93 SLC6A2 (0.61) SLC6A2SLC6A4TP53POLB
SCHEMBL5472630 0.88 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL4715717 0.88 SLC6A2 (0.76) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5472530 0.87 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL4081814 0.86 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL4080168 0.84 SLC6A2 (0.57) SLC6A2SLC6A4TP53MAPTGAA
SCHEMBL4077218 0.83 SLC6A2 (0.56) SLC6A2SLC6A4TP53MAPTGAA
SCHEMBL4090139 0.81 SLC6A2 (0.71) SLC6A2SLC6A4TP53MAPTGAA
SCHEMBL4091803 0.81 SLC6A2 (0.50) SLC6A2SLC6A4
SCHEMBL4086430 0.80 SLC6A2 (0.77) 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 16/4885TP53 3442/4885

“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.