SCHEMBL4719339

SCHEMBL4719339

O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCN2[C@@H](c1ccccc1)[C@H](O)CO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42

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
SCHEMBL4715408 0.93 MAPT (0.49) MAPTSLC6A2SLC6A4NPC1RAB9A
SCHEMBL4716809 0.90 SLC6A2 (0.60) MAPTSLC6A2SLC6A4NPC1RAB9A
SCHEMBL4716811 0.90 SLC6A2 (0.60) MAPTSLC6A2SLC6A4NPC1RAB9A
SCHEMBL4716418 0.90 SLC6A2 (0.60) MAPTSLC6A2SLC6A4NPC1RAB9A
Hydrochloric Acid SCHEMBL5472733 0.90 SLC6A2 (0.60) MAPTSLC6A2SLC6A4NPC1RAB9A
Hydrochloric Acid SCHEMBL5472738 0.90 SLC6A2 (0.60) MAPTSLC6A2SLC6A4NPC1RAB9A
SCHEMBL4717514 0.86 MAPT (0.47) MAPTSLC6A2SLC6A4NPC1RAB9A
SCHEMBL4717815 0.86 RAB9A (0.52) MAPTSLC6A2SLC6A4NPC1RAB9A
SCHEMBL4715314 0.85 MAPT (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4715312 0.85 MAPT (0.54) MAPTNPC1RAB9AMEN1KMT2A

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 MAPT 1848/4885SLC6A2 8/4885SLC6A4 16/4885

“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.