SCHEMBL4716649

SCHEMBL4716649

N#Cc1ccc2c(c1)N([C@@H](c1ccccc1)[C@H](O)CO)C(=O)C21CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 2/20 0.42
PGR P06401 4/20 0.40
ALK Q9UM73 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
TNF P01375 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4717986 0.92 SLC6A4 (0.42) SLC6A4SLC6A2PGRALKIRAK4
SCHEMBL5480593 0.89 SLC6A2 (0.48) SLC6A4SLC6A2PGR
SCHEMBL5478542 0.89 SLC6A2 (0.48) SLC6A4SLC6A2PGR
SCHEMBL5480590 0.89 SLC6A2 (0.48) SLC6A4SLC6A2PGR
Hydrochloric Acid SCHEMBL5483600 0.88 SLC6A2 (0.47) SLC6A4SLC6A2PGR
Hydrochloric Acid SCHEMBL5483591 0.88 SLC6A2 (0.47) SLC6A4SLC6A2PGR
SCHEMBL4718968 0.85 SLC6A2 (0.48) SLC6A4SLC6A2OPRM1OPRK1OPRL1
SCHEMBL4080539 0.84 SLC6A4 (0.56) SLC6A4SLC6A2EGLN1OPRM1OPRK1
SCHEMBL4080079 0.83 SLC6A4 (0.55) SLC6A4SLC6A2EGLN1OPRM1OPRK1
SCHEMBL5478407 0.82 SLC6A4 (0.44) SLC6A4SLC6A2ALKOPRM1OPRD1

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 SLC6A4 16/4885SLC6A2 8/4885PGR 230/4885

“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.