SCHEMBL4718540

SCHEMBL4718540

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2c(OCc3ccccc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.49
AGTR2 P50052 1/20 0.44
SLC6A2 P23975 7/20 0.44
SLC6A4 P31645 7/20 0.44
CARM1 Q86X55 2/20 0.43
HTT P42858 1/20 0.42
HTR1A P08908 1/20 0.40
SLC6A3 Q01959 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HTR6 P50406 2/20 0.39
LIPE Q05469 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL7002593 0.85 SLC6A2 (0.48) SLC6A2SLC6A4HTR1ALMNA
SCHEMBL4716153 0.84 SLC6A2 (0.45) AGTR2SLC6A2SLC6A4CARM1HTR1A
SCHEMBL4715366 0.83 SLC6A2 (0.44) SLC6A2SLC6A4CARM1L3MBTL1LIPE
SCHEMBL4716250 0.79 SLC6A2 (0.48) SLC6A2SLC6A4CARM1
SCHEMBL4717838 0.77 SLC6A2 (0.66) SLC6A2SLC6A4CARM1
SCHEMBL4719610 0.77 SLC6A2 (0.56) SLC6A2SLC6A4CARM1
SCHEMBL7140321 0.76 SLC6A2 (0.45) SLC6A2SLC6A4CARM1L3MBTL1
SCHEMBL7136382 0.76 SLC6A2 (0.45) SLC6A2SLC6A4CARM1L3MBTL1
SCHEMBL4090139 0.74 SLC6A2 (0.71) SLC6A2SLC6A4HTTL3MBTL1MAPT
SCHEMBL4826951 0.73 SLC6A4 (0.43) SLC6A2SLC6A4L3MBTL1MAPTMAPK1

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 ROCK1 3727/4885AGTR2 186/4885SLC6A2 8/4885

“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.