SCHEMBL4719610

SCHEMBL4719610

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.56
SLC6A4 P31645 4/20 0.56
HRH3 Q9Y5N1 8/20 0.52
CARM1 Q86X55 1/20 0.45
CYP2D6 P10635 3/20 0.44
HRH1 P35367 1/20 0.44
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL4717838 0.91 SLC6A2 (0.66) SLC6A2SLC6A4HRH3CARM1CYP2D6
SCHEMBL5475987 0.85 SLC6A2 (0.50) SLC6A2SLC6A4HRH3CARM1PRMT5
SCHEMBL4717610 0.83 SLC6A2 (0.80) SLC6A2SLC6A4HRH3CARM1
SCHEMBL4715306 0.79 SLC6A2 (0.84) SLC6A2SLC6A4HRH3CARM1
SCHEMBL4722396 0.79 SLC6A2 (0.84) SLC6A2SLC6A4HRH3CARM1
Hydrochloric Acid SCHEMBL27740771 0.79 SLC6A2 (0.85) SLC6A2SLC6A4HRH3CARM1
Hydrochloric Acid SCHEMBL5477784 0.79 SLC6A2 (0.85) SLC6A2SLC6A4HRH3CARM1
SCHEMBL4090139 0.78 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL4715366 0.78 SLC6A2 (0.44) SLC6A2SLC6A4HRH3CARM1PRMT5
SCHEMBL4718540 0.77 ROCK1 (0.49) SLC6A2SLC6A4CARM1

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 16/4885HRH3 1760/4885

“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.