SCHEMBL3207162

SCHEMBL3207162

COc1cccc(N(C)C(c2ccccc2)C(O)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.65
SLC6A4 P31645 7/20 0.65
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
ALDH1A1 P00352 1/20 0.45
HSD17B2 P37059 3/20 0.44
HSD17B1 P14061 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
AOC3 Q16853 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3201306 0.90 SLC6A2 (0.62) SLC6A2SLC6A4MTNR1AMTNR1BALDH1A1
SCHEMBL3200026 0.88 SLC6A2 (0.66) SLC6A2SLC6A4MTNR1AMTNR1BALDH1A1
SCHEMBL3191779 0.85 SLC6A2 (0.65) SLC6A2SLC6A4ALDH1A1TDP1L3MBTL1
SCHEMBL3199701 0.85 SLC6A2 (0.62) SLC6A2SLC6A4ALDH1A1TDP1
SCHEMBL3190940 0.83 SLC6A2 (0.58) SLC6A2SLC6A4AOC3
SCHEMBL3190947 0.83 SLC6A2 (0.58) SLC6A2SLC6A4AOC3
SCHEMBL3199011 0.83 SLC6A2 (0.50) SLC6A2SLC6A4ALDH1A1HSD17B2HSD17B1
SCHEMBL3216272 0.82 SLC6A2 (0.62) SLC6A2SLC6A4ALDH1A1HSD17B2HSD17B1
SCHEMBL3191923 0.82 SLC6A2 (0.64) SLC6A2SLC6A4
SCHEMBL13422514 0.81 SLC6A2 (0.74) SLC6A2SLC6A4MTNR1AMTNR1BAOC3

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 6/4885MTNR1A 80/4885

“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.