SCHEMBL4081185

SCHEMBL4081185

COc1cccc([C@@H]([C@H](O)COS(=O)(=O)c2ccc(C)cc2)n2ccc3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.61
SLC6A2 P23975 17/20 0.61
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
STAT1 P42224 1/20 0.38

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
SCHEMBL4081181 1.00 SLC6A4 (0.61) SLC6A4SLC6A2TP53MAPTSTAT1
SCHEMBL4078690 0.90 SLC6A4 (0.49) SLC6A4SLC6A2
SCHEMBL4078687 0.90 SLC6A4 (0.49) SLC6A4SLC6A2
SCHEMBL4081738 0.89 SLC6A4 (0.56) SLC6A4SLC6A2
SCHEMBL4088638 0.88 SLC6A4 (0.51) SLC6A4SLC6A2MAPT
SCHEMBL4081807 0.88 SLC6A2 (0.59) SLC6A4SLC6A2
SCHEMBL4086956 0.88 SLC6A4 (0.61) SLC6A4SLC6A2
SCHEMBL4080918 0.88 SLC6A4 (0.59) SLC6A4SLC6A2
SCHEMBL4081516 0.88 SLC6A2 (0.59) SLC6A4SLC6A2
SCHEMBL4081520 0.88 SLC6A2 (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885TP53 4041/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885TP53 4041/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A4 13/4885SLC6A2 8/4885TP53 4041/4885

“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.