SCHEMBL4717577

SCHEMBL4717577

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2cccc(-c3ccccc3)c21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.49
SLC6A4 P31645 13/20 0.49
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CARM1 Q86X55 1/20 0.37
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
SLC6A3 Q01959 1/20 0.34
DHPS P49366 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
SCHEMBL4077127 0.84 SLC6A2 (0.58) SLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL4715591 0.84 SLC6A2 (0.49) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL4718538 0.84 SLC6A2 (0.49) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL4718307 0.81 SLC6A2 (0.46) SLC6A2SLC6A4MEN1KMT2ACARM1
SCHEMBL4090139 0.81 SLC6A2 (0.71) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL4716250 0.81 SLC6A2 (0.48) SLC6A2SLC6A4CARM1DHPS
SCHEMBL4718558 0.77 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL4718232 0.73 SLC6A2 (0.48) SLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL4086867 0.72 SLC6A2 (0.57) SLC6A2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL4080121 0.72 SLC6A2 (0.59) SLC6A2SLC6A4MEN1KMT2AALDH1A1

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 16/4885MEN1 3735/4885

“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.