SCHEMBL4081052

SCHEMBL4081052

COc1cccc2c1ccn2C(c1ccccc1)C(O)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
SLC6A4 P31645 11/20 0.39
SLC6A2 P23975 10/20 0.39
CYP24A1 Q07973 2/20 0.39
FABP4 P15090 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
NR3C2 P08235 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
SCHEMBL4081056 1.00 HTR6 (0.43) HTR6SLC6A4SLC6A2CYP24A1FABP4
SCHEMBL4715972 0.91 SLC6A4 (0.38) SLC6A4SLC6A2CYP24A1
SCHEMBL4715975 0.91 SLC6A4 (0.38) SLC6A4SLC6A2CYP24A1
SCHEMBL4077125 0.89 SLC6A2 (0.46) SLC6A4SLC6A2CYP24A1NR3C2
SCHEMBL4077120 0.89 SLC6A2 (0.46) SLC6A4SLC6A2CYP24A1NR3C2
SCHEMBL4717353 0.89 LMNA (0.38) HTR6SLC6A4SLC6A2CYP24A1KMT2A
SCHEMBL4717351 0.89 LMNA (0.38) HTR6SLC6A4SLC6A2CYP24A1KMT2A
SCHEMBL4721062 0.87 L3MBTL1 (0.40) HTR6SLC6A4SLC6A2CYP24A1
SCHEMBL4721063 0.87 L3MBTL1 (0.40) HTR6SLC6A4SLC6A2CYP24A1
SCHEMBL4082271 0.85 SLC6A4 (0.39) SLC6A4SLC6A2KMT2AGAA

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 7 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
EP-1732887-A1 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 (US) 2006-12-20 EP disclosed
WO-2005097744-A1 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 (US) 2005-10-20 WO 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 HTR6 88/4885SLC6A4 13/4885SLC6A2 8/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT HTR6 88/4885SLC6A4 13/4885SLC6A2 8/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HTR6 88/4885SLC6A4 13/4885SLC6A2 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.