SCHEMBL4718558

SCHEMBL4718558

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2ccc(-c3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.53
SLC6A4 P31645 13/20 0.53
USP30 Q70CQ3 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
UCHL1 P09936 1/20 0.36
ACLY P53396 2/20 0.36
HSD17B3 P37058 1/20 0.36

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
SCHEMBL4090139 0.84 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL5475987 0.82 SLC6A2 (0.50) SLC6A2SLC6A4UCHL1
SCHEMBL4719610 0.79 SLC6A2 (0.56) SLC6A2SLC6A4
SCHEMBL4718345 0.78 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL4080121 0.78 SLC6A2 (0.59) SLC6A2SLC6A4HDAC1HDAC6HSD17B3
SCHEMBL4717577 0.77 SLC6A2 (0.49) SLC6A2SLC6A4
SCHEMBL4716250 0.76 SLC6A2 (0.48) SLC6A2SLC6A4USP30UCHL1
SCHEMBL4086867 0.75 SLC6A2 (0.57) SLC6A2SLC6A4
SCHEMBL4080168 0.75 SLC6A2 (0.57) SLC6A2SLC6A4
SCHEMBL4716371 0.75 SLC6A2 (0.50) SLC6A2SLC6A4UCHL1

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 16/4885USP30 2819/4885

“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.