SCHEMBL4716981

SCHEMBL4716981

Cc1ccc(C(=O)Nc2ccc3c(ccn3[C@@H](c3ccccc3)[C@H](O)CO)c2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.48
SLC6A4 P31645 9/20 0.48
MAOB P27338 1/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 3/20 0.42
CASP3 P42574 2/20 0.42
RAB9A P51151 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5484224 0.91 SLC6A2 (0.61) SLC6A2SLC6A4
SCHEMBL4715707 0.91 SLC6A2 (0.61) SLC6A2SLC6A4
SCHEMBL5484228 0.91 SLC6A2 (0.61) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5481016 0.91 SLC6A2 (0.60) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5476118 0.91 SLC6A2 (0.60) SLC6A2SLC6A4
SCHEMBL4717350 0.87 SLC6A4 (0.49) SLC6A2SLC6A4MAPTNPC1RAB9A
SCHEMBL4761701 0.86 SLC6A2 (0.53) SLC6A2SLC6A4MAOBMAPTNPC1
SCHEMBL4721654 0.86 PPARG (0.41) SLC6A2SLC6A4MAOBPOLBMAPT
SCHEMBL4717324 0.86 PPARG (0.41) SLC6A2SLC6A4MAOBPOLBMAPT
SCHEMBL4717325 0.86 PPARG (0.41) SLC6A2SLC6A4MAOBPOLBMAPT

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 16/4885MAOB 18/4885

“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.