SCHEMBL4718546

SCHEMBL4718546

OC[C@H]1O[C@@H]1c1cc(F)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 9/20 0.41
TRPM4 Q8TD43 4/20 0.41
CYP2C19 P33261 1/20 0.36
SLC5A2 P31639 6/20 0.34
SLC5A1 P13866 2/20 0.33
CHRM1 P11229 1/20 0.33
ADRA1A P35348 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LGALS3 P17931 1/20 0.33

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
SCHEMBL4718151 0.87 SLC5A2 (0.36) TRPM5TRPM4SLC5A2SLC5A1SLC6A3
SCHEMBL4081713 0.87 SLC5A2 (0.36) TRPM5TRPM4SLC5A2SLC5A1SLC6A3
SCHEMBL4987870 0.75 SLC5A2 (0.50) SLC5A2
SCHEMBL4717027 0.75 SLC5A2 (0.50) SLC5A2
SCHEMBL4986893 0.75 SLC5A2 (0.50) SLC5A2
SCHEMBL4083576 0.75 SLC5A2 (0.46) TRPM5TRPM4CYP2C19SLC5A2
SCHEMBL4087278 0.75 SLC5A2 (0.50) SLC5A2
SCHEMBL4086552 0.72 EPHX1 (0.43) SLC5A2SLC5A1SLC6A3
SCHEMBL4077235 0.72 EPHX1 (0.43) SLC5A2SLC5A1SLC6A3
SCHEMBL4079821 0.72 PTGS2 (0.41) CYP2C19SLC5A2SLC5A1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TRPM5 1575/4885TRPM4 1299/4885CYP2C19 359/4885

“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.