SCHEMBL4716588

SCHEMBL4716588

OC[C@@H](O)[C@H](c1ccccc1)n1ccc2c(OCc3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.43
ROCK1 Q13464 1/20 0.43
SLC6A2 P23975 13/20 0.41
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL4718086 0.87 SLC6A2 (0.60) SLC6A4SLC6A2
SCHEMBL4715737 0.87 SLC6A2 (0.60) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5477649 0.86 SLC6A2 (0.60) SLC6A4SLC6A2
SCHEMBL4085383 0.84 SLC6A4 (0.46) SLC6A4SLC6A2
SCHEMBL4077007 0.84 SLC6A4 (0.46) SLC6A4SLC6A2
SCHEMBL4718172 0.83 SLC6A4 (0.45) SLC6A4SLC6A2
SCHEMBL4826951 0.81 SLC6A4 (0.43) SLC6A4SLC6A2MAPTMAPK1TDP1
SCHEMBL4717353 0.81 LMNA (0.38) SLC6A4ROCK1SLC6A2MAPT
SCHEMBL4717351 0.81 LMNA (0.38) SLC6A4ROCK1SLC6A2MAPT
SCHEMBL4081021 0.78 SLC6A4 (0.57) SLC6A4SLC6A2

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 SLC6A4 16/4885ROCK1 3727/4885SLC6A2 8/4885

“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.