SCHEMBL4759835

SCHEMBL4759835

CN(C)C[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.56
SLC6A2 P23975 10/20 0.56
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MCHR1 Q99705 2/20 0.44
KCNH2 Q12809 1/20 0.44
SRD5A2 P31213 1/20 0.43
CYP26A1 O43174 1/20 0.43
CYP3A4 P08684 1/20 0.43
ROCK1 Q13464 1/20 0.42
ALOX5 P09917 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4719192 1.00 SLC6A4 (0.56) SLC6A4SLC6A2MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL5484808 0.99 SLC6A4 (0.55) SLC6A4SLC6A2MEN1NPC1RAB9A
SCHEMBL5479470 0.91 SLC6A4 (0.53) SLC6A4SLC6A2MEN1NPC1RAB9A
SCHEMBL4716427 0.91 SLC6A4 (0.53) SLC6A4SLC6A2MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL5484373 0.90 SLC6A4 (0.52) SLC6A4SLC6A2MEN1NPC1RAB9A
SCHEMBL4718527 0.90 SLC6A4 (0.52) SLC6A4SLC6A2MEN1NPC1RAB9A
SCHEMBL5473592 0.90 SLC6A4 (0.54) SLC6A4SLC6A2MEN1NPC1RAB9A
SCHEMBL4719723 0.90 SLC6A4 (0.54) SLC6A4SLC6A2MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL5482025 0.89 SLC6A4 (0.53) SLC6A4SLC6A2MEN1NPC1RAB9A
SCHEMBL14303287 0.87 SLC6A4 (0.72) SLC6A4SLC6A2

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 6 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
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
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US 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 8/4885MEN1 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.