SCHEMBL4083854

SCHEMBL4083854

OC[C@H]1O[C@@H]1c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 4/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KDM1A O60341 3/20 0.39
KDM1B Q8NB78 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.36
EEF2K O00418 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
RCOR1 Q9UKL0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3818874 1.00 SLC5A2 (0.43) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL15540266 0.87 MEN1 (0.37) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL16795878 0.87 MEN1 (0.37) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL30445125 0.87 MEN1 (0.37) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL30444497 0.87 MEN1 (0.37) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL18802133 0.87 MEN1 (0.37) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL15550837 0.84 SLC5A2 (0.38) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL18801897 0.84 SLC5A2 (0.38) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL30443690 0.84 SLC5A2 (0.38) SLC5A2HTR2CHTR2BKDM1AKDM1B
SCHEMBL15551306 0.84 SLC5A2 (0.38) SLC5A2HTR2CHTR2BKDM1AKDM1B

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 SLC5A2 80/4885HTR2C 36/4885HTR2B 77/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC5A2 80/4885HTR2C 36/4885HTR2B 77/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC5A2 80/4885HTR2C 36/4885HTR2B 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.