SCHEMBL4718307

SCHEMBL4718307

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2cccc(Oc3ccccc3)c21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.46
SLC6A4 P31645 10/20 0.46
CARM1 Q86X55 2/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
AGTR2 P50052 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 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
SCHEMBL4715366 0.85 SLC6A2 (0.44) SLC6A2SLC6A4CARM1PRMT5WDR77
SCHEMBL4716153 0.83 SLC6A2 (0.45) SLC6A2SLC6A4CARM1AGTR2ADRA1D
SCHEMBL4717577 0.81 SLC6A2 (0.49) SLC6A2SLC6A4CARM1MEN1KMT2A
SCHEMBL4715591 0.81 SLC6A2 (0.49) SLC6A2SLC6A4PRMT5MEN1KMT2A
SCHEMBL4077127 0.81 SLC6A2 (0.58) SLC6A2SLC6A4LMNAHTT
SCHEMBL4718538 0.81 SLC6A2 (0.49) SLC6A2SLC6A4PRMT5MEN1KMT2A
SCHEMBL5475987 0.79 SLC6A2 (0.50) SLC6A2SLC6A4CARM1PRMT5WDR77
SCHEMBL4716371 0.79 SLC6A2 (0.50) SLC6A2SLC6A4CARM1PRMT5WDR77
SCHEMBL4090139 0.78 SLC6A2 (0.71) SLC6A2SLC6A4MEN1KMT2AHTT
SCHEMBL7140321 0.77 SLC6A2 (0.45) SLC6A2SLC6A4CARM1PRMT5WDR77

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 16/4885CARM1 4399/4885

“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.