SCHEMBL4716371

SCHEMBL4716371

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2cc(Oc3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.50
SLC6A4 P31645 10/20 0.50
CARM1 Q86X55 1/20 0.42
UCHL1 P09936 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL5475987 0.91 SLC6A2 (0.50) SLC6A2SLC6A4CARM1UCHL1HRH3
SCHEMBL4717838 0.85 SLC6A2 (0.66) SLC6A2SLC6A4CARM1HRH3PRMT5
SCHEMBL4718345 0.82 SLC6A2 (0.53) SLC6A2SLC6A4CARM1PRMT5
SCHEMBL4080121 0.82 SLC6A2 (0.59) SLC6A2SLC6A4POLB
SCHEMBL4090139 0.81 SLC6A2 (0.71) SLC6A2SLC6A4POLBL3MBTL1
SCHEMBL4718307 0.79 SLC6A2 (0.46) SLC6A2SLC6A4CARM1PRMT5WDR77
SCHEMBL4717610 0.78 SLC6A2 (0.80) SLC6A2SLC6A4CARM1HRH3
SCHEMBL4716153 0.77 SLC6A2 (0.45) SLC6A2SLC6A4CARM1UCHL1
SCHEMBL4719610 0.76 SLC6A2 (0.56) SLC6A2SLC6A4CARM1HRH3PRMT5
SCHEMBL4717815 0.75 RAB9A (0.52) 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 16/4885CARM1 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.