SCHEMBL3200649

SCHEMBL3200649

CN(c1cccc2ccccc12)C(c1ccccc1)C(O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.62
SLC6A4 P31645 5/20 0.62
SIGMAR1 Q99720 4/20 0.44
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 2/20 0.37
AOC3 Q16853 4/20 0.37
METAP2 P50579 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3201563 0.87 SLC6A2 (0.64) SLC6A2SLC6A4SIGMAR1ALDH1A1
SCHEMBL3210797 0.81 SLC6A2 (0.59) SLC6A2SLC6A4AOC3
SCHEMBL3213965 0.79 SLC6A2 (0.60) SLC6A2SLC6A4AOC3
SCHEMBL173511 0.77 SIGMAR1 (0.50) SLC6A2SLC6A4SIGMAR1AKR1C3AKR1C2
SCHEMBL29643341 0.77 SIGMAR1 (0.50) SLC6A2SLC6A4SIGMAR1AKR1C3AKR1C2
SCHEMBL29643326 0.77 SIGMAR1 (0.50) SLC6A2SLC6A4SIGMAR1AKR1C3AKR1C2
SCHEMBL173510 0.77 SIGMAR1 (0.50) SLC6A2SLC6A4SIGMAR1AKR1C3AKR1C2
SCHEMBL7366363 0.77 SIGMAR1 (0.50) SLC6A2SLC6A4SIGMAR1AKR1C3AKR1C2
SCHEMBL13422586 0.77 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3198953 0.77 SLC6A2 (1.00) SLC6A2SLC6A4

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 6/4885SIGMAR1 759/4885

“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.