SCHEMBL4719201

SCHEMBL4719201

OC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.48
SLC6A2 P23975 13/20 0.47
ALOX5 P09917 1/20 0.45
HTR7 P34969 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4719022 0.91 SLC6A4 (0.57) SLC6A4SLC6A2ALOX5CYP4F2CYP4A11
SCHEMBL4719589 0.87 SLC6A2 (0.65) SLC6A4SLC6A2
SCHEMBL4720759 0.87 SLC6A2 (0.65) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5473766 0.86 SLC6A2 (0.65) SLC6A4SLC6A2
SCHEMBL4715610 0.85 SLC6A4 (0.51) SLC6A4SLC6A2
SCHEMBL4087333 0.85 SLC6A4 (0.64) SLC6A4SLC6A2MEN1KMT2A
SCHEMBL4719482 0.82 SLC6A2 (0.54) SLC6A4SLC6A2
SCHEMBL4718165 0.81 SLC6A4 (0.41) SLC6A4SLC6A2HTR7
SCHEMBL4718167 0.81 SLC6A4 (0.41) SLC6A4SLC6A2HTR7
SCHEMBL4822295 0.81 SLC6A4 (0.62) SLC6A4SLC6A2ALOX5MEN1NPC1

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 SLC6A4 16/4885SLC6A2 8/4885ALOX5 632/4885

“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.