SCHEMBL4716809

SCHEMBL4716809

CNC[C@H](O)[C@H](c1ccccc1)N1CCc2cc(C(=O)Nc3cccc(Cl)c3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.60
SLC6A4 P31645 10/20 0.60
MAPT P10636 5/20 0.55
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4716418 1.00 SLC6A2 (0.60) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL4716811 1.00 SLC6A2 (0.60) SLC6A2SLC6A4MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5472733 0.99 SLC6A2 (0.60) SLC6A2SLC6A4MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5472738 0.99 SLC6A2 (0.60) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL5483667 0.93 SLC6A2 (0.60) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL5483002 0.93 SLC6A2 (0.60) SLC6A2SLC6A4MAPTMEN1KMT2A
SCHEMBL5483663 0.93 SLC6A2 (0.60) SLC6A2SLC6A4MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5480848 0.92 SLC6A2 (0.60) SLC6A2SLC6A4MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL5484192 0.92 SLC6A2 (0.60) SLC6A2SLC6A4MAPTNPC1RAB9A
SCHEMBL4719339 0.90 MAPT (0.58) SLC6A2SLC6A4MAPTMEN1KMT2A

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 16/4885MAPT 1848/4885

“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.