SCHEMBL4716250

SCHEMBL4716250

OC[C@@H](O)[C@H](c1ccccc1)N1CCc2c(-c3ccccc3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
PDCD1 Q15116 9/20 0.39
CD274 Q9NZQ7 9/20 0.39
CARM1 Q86X55 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
USP30 Q70CQ3 2/20 0.37
UCHL1 P09936 1/20 0.37
DHPS P49366 1/20 0.37

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 0.81 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL4716153 0.81 SLC6A2 (0.45) SLC6A2SLC6A4CARM1HTR2CHTR2B
SCHEMBL4717577 0.81 SLC6A2 (0.49) SLC6A2SLC6A4CARM1DHPS
SCHEMBL4090139 0.80 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL4718540 0.79 ROCK1 (0.49) SLC6A2SLC6A4CARM1
SCHEMBL10311199 0.78 HTR2C (0.42) PDCD1CD274CARM1HTR2CHTR2B
SCHEMBL4718558 0.76 SLC6A2 (0.53) SLC6A2SLC6A4USP30UCHL1
SCHEMBL14685821 0.75 HTR2C (0.44) PDCD1CD274CARM1HTR2CHTR2B
SCHEMBL4087466 0.73 SLC6A2 (0.49) SLC6A2SLC6A4
SCHEMBL4087463 0.73 SLC6A2 (0.49) 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 16/4885PDCD1 4557/4885

“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.