SCHEMBL4716153

SCHEMBL4716153

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2c(Oc3ccccc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.45
SLC6A4 P31645 11/20 0.45
AGTR2 P50052 1/20 0.43
CARM1 Q86X55 4/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
UCHL1 P09936 1/20 0.39
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SLC6A3 Q01959 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 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
SCHEMBL7002593 0.87 SLC6A2 (0.48) SLC6A2SLC6A4HTR1ADRD2DRD4
SCHEMBL4718540 0.84 ROCK1 (0.49) SLC6A2SLC6A4AGTR2CARM1SLC6A3
SCHEMBL4718307 0.83 SLC6A2 (0.46) SLC6A2SLC6A4AGTR2CARM1ADRA1D
SCHEMBL4716250 0.81 SLC6A2 (0.48) SLC6A2SLC6A4CARM1HTR2CHTR2B
SCHEMBL5475987 0.77 SLC6A2 (0.50) SLC6A2SLC6A4CARM1UCHL1
SCHEMBL4716371 0.77 SLC6A2 (0.50) SLC6A2SLC6A4CARM1UCHL1
SCHEMBL4090139 0.76 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL4719521 0.71 SLC6A4 (0.45) SLC6A2SLC6A4
SCHEMBL4087466 0.70 SLC6A2 (0.49) SLC6A2SLC6A4
SCHEMBL4087463 0.70 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 16/4885AGTR2 186/4885

“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.