SCHEMBL4714955

SCHEMBL4714955

c1ccc(Oc2ccc3c(c2)NCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
MAOA P21397 5/20 0.44
HRH3 Q9Y5N1 2/20 0.42
NISCH Q9Y2I1 1/20 0.41
LTA4H P09960 4/20 0.41
TSHR P16473 1/20 0.41
EIF2AK2 P19525 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAM17 P78536 1/20 0.39
BTK Q06187 1/20 0.38
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
GFER P55789 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
SCHEMBL21635492 0.91 EIF2AK2 (0.47) MAOBMAOAHRH3EIF2AK2GFER
SCHEMBL3525548 0.90 HRH3 (0.49) MAOBMAOAHRH3NISCHLTA4H
SCHEMBL5469125 0.89 HRH3 (0.45) MAOBMAOAHRH3NISCHLTA4H
SCHEMBL4715922 0.86 DRD2 (0.49) MAOBMAOAHRH3NISCHLTA4H
SCHEMBL4717674 0.79 MAOB (0.66) MAOBMAOAHRH3
SCHEMBL6294041 0.78 ALDH1A1 (0.58) MAOBMAOANISCHMMP2MMP9
SCHEMBL4923376 0.77 HRH3 (0.54) HRH3LTA4HTSHR
SCHEMBL30025932 0.77 HTR2C (0.50) HRH3GFER
SCHEMBL550150 0.77 HTR2C (0.50) HRH3GFER
SCHEMBL15062736 0.75 PPARG (0.43) MAOBMAOAHRH3GFER

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 MAOB 18/4885MAOA 13/4885HRH3 1760/4885

“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.