SCHEMBL4090139

SCHEMBL4090139

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.71
SLC6A4 P31645 11/20 0.71
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
CDK4 P11802 1/20 0.40
ALOX15 P16050 1/20 0.40
CCND1 P24385 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4080168 0.87 SLC6A2 (0.57) SLC6A2SLC6A4GAAMAPTTP53
SCHEMBL4086867 0.87 SLC6A2 (0.57) SLC6A2SLC6A4GAAMAPTTP53
SCHEMBL4081814 0.86 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL4087261 0.85 SLC6A2 (0.61) SLC6A2SLC6A4TP53POLB
SCHEMBL4080121 0.84 SLC6A2 (0.59) SLC6A2SLC6A4GAAMAPTTP53
SCHEMBL4718345 0.84 SLC6A2 (0.53) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4718558 0.84 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL4085635 0.83 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4081204 0.83 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4077218 0.83 SLC6A2 (0.56) SLC6A2SLC6A4GAAMAPTTP53

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 SLC6A2 8/4885SLC6A4 13/4885GAA 656/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885GAA 656/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885GAA 656/4885

“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.