SCHEMBL4087074

SCHEMBL4087074

COC(CCN)C(c1ccccc1)n1cc(C)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.46
SLC6A4 P31645 7/20 0.46
PLA2G4A P47712 1/20 0.39
HTR6 P50406 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
CYP2C9 P11712 1/20 0.32
PTGDR Q13258 1/20 0.32
METTL3 Q86U44 1/20 0.31
METTL14 Q9HCE5 1/20 0.31
AVPR1A P37288 2/20 0.31
HRH1 P35367 1/20 0.31
AVPR2 P30518 1/20 0.30
AVPR1B P47901 1/20 0.30

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
SCHEMBL4076935 1.00 SLC6A2 (0.46) SLC6A2SLC6A4PLA2G4AHTR6IDO1
Hydrochloric Acid SCHEMBL4087396 0.99 SLC6A2 (0.46) SLC6A2SLC6A4PLA2G4AHTR6IDO1
SCHEMBL4081096 0.87 SLC6A2 (0.46) SLC6A2SLC6A4PLA2G4AMETTL3METTL14
SCHEMBL4076777 0.87 SLC6A2 (0.46) SLC6A2SLC6A4PLA2G4AMETTL3METTL14
SCHEMBL4076928 0.85 SLC6A2 (0.54) SLC6A2SLC6A4PLA2G4A
SCHEMBL4087069 0.85 SLC6A2 (0.54) SLC6A2SLC6A4PLA2G4A
Hydrochloric Acid SCHEMBL4087395 0.84 SLC6A2 (0.53) SLC6A2SLC6A4PLA2G4A
SCHEMBL4076813 0.80 SLC6A2 (0.73) SLC6A2SLC6A4PLA2G4A
SCHEMBL4076811 0.80 SLC6A2 (0.73) SLC6A2SLC6A4PLA2G4A
SCHEMBL4086566 0.80 SLC6A2 (0.73) SLC6A2SLC6A4PLA2G4A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US claimed
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 claimed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US claimed
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-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
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
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
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 (4 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 SLC6A2 8/4885SLC6A4 16/4885PLA2G4A 1667/4885
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885PLA2G4A 1578/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885PLA2G4A 1578/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885PLA2G4A 1578/4885

“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.