SCHEMBL4721063

SCHEMBL4721063

Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H](c2ccccc2)n2ccc3c(-c4ccccc4)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 13/20 0.39
SLC6A2 P23975 13/20 0.39
HTR6 P50406 1/20 0.39
CYP24A1 Q07973 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL4721062 1.00 L3MBTL1 (0.40) L3MBTL1SLC6A4SLC6A2HTR6CYP24A1
SCHEMBL4077120 0.89 SLC6A2 (0.46) SLC6A4SLC6A2CYP24A1PKM
SCHEMBL4077125 0.89 SLC6A2 (0.46) SLC6A4SLC6A2CYP24A1PKM
SCHEMBL4081052 0.87 HTR6 (0.43) SLC6A4SLC6A2HTR6CYP24A1
SCHEMBL4081056 0.87 HTR6 (0.43) SLC6A4SLC6A2HTR6CYP24A1
SCHEMBL4715975 0.85 SLC6A4 (0.38) SLC6A4SLC6A2CYP24A1HTTPKM
SCHEMBL4715972 0.85 SLC6A4 (0.38) SLC6A4SLC6A2CYP24A1HTTPKM
SCHEMBL4719302 0.85 SLC6A4 (0.39) SLC6A4SLC6A2ALDH1A1MAPTMAPK1
SCHEMBL4719306 0.85 SLC6A4 (0.39) SLC6A4SLC6A2ALDH1A1MAPTMAPK1
SCHEMBL4081738 0.84 SLC6A4 (0.56) 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 L3MBTL1 4494/4885SLC6A4 16/4885SLC6A2 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.