SCHEMBL4718345

SCHEMBL4718345

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.53
SLC6A4 P31645 11/20 0.53
ABHD6 Q9BV23 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
ROCK1 Q13464 1/20 0.36
PRMT5 O14744 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
CARM1 Q86X55 2/20 0.34
MEN1 O00255 1/20 0.34
IGF1R P08069 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
SCHEMBL4080121 0.85 SLC6A2 (0.59) SLC6A2SLC6A4LMNAROCK1MEN1
SCHEMBL4086867 0.85 SLC6A2 (0.57) SLC6A2SLC6A4LMNATHRBMEN1
SCHEMBL4090139 0.84 SLC6A2 (0.71) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4716371 0.82 SLC6A2 (0.50) SLC6A2SLC6A4PRMT5CARM1
SCHEMBL4717838 0.79 SLC6A2 (0.66) SLC6A2SLC6A4PRMT5CARM1
SCHEMBL4717815 0.78 RAB9A (0.52) SLC6A2SLC6A4LMNAROCK1MEN1
SCHEMBL4718558 0.78 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL4080168 0.75 SLC6A2 (0.57) SLC6A2SLC6A4LMNAMEN1KMT2A
SCHEMBL5475987 0.75 SLC6A2 (0.50) SLC6A2SLC6A4PRMT5CARM1
SCHEMBL4081814 0.74 SLC6A2 (0.76) SLC6A2SLC6A4

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 SLC6A2 8/4885SLC6A4 16/4885ABHD6 3324/4885

“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.