SCHEMBL4081348

SCHEMBL4081348

OC[C@H]1O[C@@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
SLC5A2 P31639 6/20 0.43
CES2 O00748 1/20 0.43
HTR1A P08908 1/20 0.42
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL9377705 1.00 HTR2C (0.47) HTR2CHTR2AHTR2BSLC5A2CES2
SCHEMBL1594507 0.81 HTR2C (0.41) HTR2CSLC5A2
SCHEMBL12056442 0.81 HTR2C (0.41) HTR2CSLC5A2
SCHEMBL9380359 0.81 HTR2C (0.41) HTR2CSLC5A2
SCHEMBL30450943 0.80 MAPT (0.42) HTR2CHTR2AHTR2BSLC5A2HTR1A
SCHEMBL4087278 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4717027 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4987870 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4986893 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4077149 0.76 SLC5A2 (0.46) SLC5A2

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 10 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
EP-0335315-B1 New alkanephenones CIBA GEIGY AG (CH) 1994-06-22 EP disclosed
US-5149717-A Alkanophenones useful for treating allergies CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0335315-A1 New alkanephenones CIBA-GEIGY AG (CH) 1989-10-04 EP 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 HTR2C 36/4885HTR2A 58/4885HTR2B 77/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT HTR2C 36/4885HTR2A 58/4885HTR2B 77/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HTR2C 36/4885HTR2A 58/4885HTR2B 77/4885

“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.