SCHEMBL3205757

SCHEMBL3205757

COc1ccc(C(C(O)C(=O)O)N(C)c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.57
SLC6A4 P31645 4/20 0.57
SLC2A1 P11166 1/20 0.46
AOC3 Q16853 1/20 0.42
LDHA P00338 1/20 0.41
NPY5R Q15761 1/20 0.41
PTGS2 P35354 3/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
PTGS1 P23219 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
CYP1A2 P05177 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
SCHEMBL3198738 0.94 SLC6A2 (0.52) SLC6A2SLC6A4SLC2A1
SCHEMBL3199701 0.94 SLC6A2 (0.62) SLC6A2SLC6A4NPY5RACP3
SCHEMBL3191779 0.94 SLC6A2 (0.65) SLC6A2SLC6A4NPY5RNPC1MAPT
SCHEMBL3200042 0.84 SLC6A2 (0.54) SLC6A2SLC6A4SLC2A1AOC3NPY5R
SCHEMBL3199766 0.84 SLC6A2 (0.50) SLC6A2SLC6A4SLC2A1NPC1RAB9A
SCHEMBL3199011 0.83 SLC6A2 (0.50) SLC6A2SLC6A4AKR1C3AKR1C2APP
SCHEMBL3190841 0.83 SLC6A2 (0.66) SLC6A2SLC6A4AOC3NPY5RNPC1
SCHEMBL3197836 0.82 SLC6A2 (0.49) SLC6A2SLC6A4PTGS2
SCHEMBL3210232 0.81 SLC6A2 (0.64) SLC6A2SLC6A4NPY5RMAPTACP3
SCHEMBL3202915 0.81 SLC6A2 (0.64) SLC6A2SLC6A4NPY5RNPC1TP53

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
US-7671238-B2 Arylamino-arylpropanolamine derivatives and methods of their use WYETH LLC (US) 2010-03-02 US disclosed
WO-2008042362-A1 ARYLAMINO-ARYLPROPANOLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-04-10 WO disclosed
US-20080085938-A1 Arylamino-Arylpropanolamine Derivatives and Methods of Their Use WYETH (US) 2008-04-10 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-20080085938-A1 Arylamino-Arylpropanolamine Derivatives and Methods of Their Use PNMT, PAH, SLC18A2 SLC6A2 4/4885SLC6A4 6/4885SLC2A1 130/4885

“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.