SCHEMBL4086313

SCHEMBL4086313

OCC1OC1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 2/20 0.40
MDM2 Q00987 1/20 0.39
KDM1A O60341 2/20 0.39
RCOR1 Q9UKL0 1/20 0.39
SLC5A1 P13866 1/20 0.39
EPHX2 P34913 2/20 0.38
MAPT P10636 2/20 0.38
CCR6 P51684 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2B Q13224 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SLC29A1 Q99808 2/20 0.36

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
SCHEMBL4077149 0.83 SLC5A2 (0.46) SLC5A2
SCHEMBL12056442 0.77 HTR2C (0.41) SLC5A2MAPTMEN1KMT2A
SCHEMBL9380359 0.77 HTR2C (0.41) SLC5A2MAPTMEN1KMT2A
SCHEMBL8482908 0.77 CYP3A4 (0.51) SLC5A2SLC5A1MAPTSLC6A4SLC6A2
SCHEMBL1594507 0.77 HTR2C (0.41) SLC5A2MAPTMEN1KMT2A
SCHEMBL4086552 0.74 EPHX1 (0.43) SLC5A2SLC5A1MAPTSLC6A4SLC6A3
SCHEMBL4077235 0.74 EPHX1 (0.43) SLC5A2SLC5A1MAPTSLC6A4SLC6A3
SCHEMBL19329994 0.74 EPHX1 (0.43) SLC5A2SLC5A1MAPTSLC6A4SLC6A3
SCHEMBL4086211 0.73 FFAR4 (0.38) SLC5A2SLC6A4SLC6A2SLC6A3GRIN2B
SCHEMBL4077332 0.73 FFAR4 (0.38) SLC5A2SLC6A4SLC6A2SLC6A3GRIN2B

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 6 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-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 SLC5A2 80/4885MDM2 3420/4885KDM1A 1217/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC5A2 80/4885MDM2 3420/4885KDM1A 1217/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC5A2 80/4885MDM2 3420/4885KDM1A 1217/4885

“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.