SCHEMBL4822295

SCHEMBL4822295

NC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.62
SLC6A2 P23975 11/20 0.56
ROCK1 Q13464 1/20 0.47
ALOX5 P09917 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4716627 1.00 SLC6A4 (0.62) SLC6A4SLC6A2ROCK1ALOX5MEN1
Hydrochloric Acid SCHEMBL5478823 0.99 SLC6A4 (0.61) SLC6A4SLC6A2ROCK1ALOX5MEN1
SCHEMBL4719022 0.90 SLC6A4 (0.57) SLC6A4SLC6A2ROCK1ALOX5MEN1
SCHEMBL4715398 0.86 SLC6A4 (0.53) SLC6A4SLC6A2ROCK1ALOX5MEN1
SCHEMBL4717687 0.86 SLC6A2 (0.77) SLC6A4SLC6A2
SCHEMBL4722412 0.86 SLC6A2 (0.77) SLC6A4SLC6A2
SCHEMBL4719192 0.86 SLC6A4 (0.56) SLC6A4SLC6A2ROCK1ALOX5MEN1
SCHEMBL4759835 0.86 SLC6A4 (0.56) SLC6A4SLC6A2ROCK1ALOX5MEN1
Hydrochloric Acid SCHEMBL5473727 0.85 SLC6A2 (0.76) SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5484808 0.85 SLC6A4 (0.55) SLC6A4SLC6A2ROCK1ALOX5MEN1

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 5 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
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US 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 8/4885ROCK1 3727/4885

“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.