SCHEMBL3201306

SCHEMBL3201306

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.62
SLC6A4 P31645 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B2 P37059 3/20 0.43
HSD17B1 P14061 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PARP1 P09874 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
SCHEMBL3207162 0.90 SLC6A2 (0.65) SLC6A2SLC6A4L3MBTL1MTNR1AMTNR1B
SCHEMBL3190841 0.86 SLC6A2 (0.66) SLC6A2SLC6A4L3MBTL1AOC3ALDH1A1
SCHEMBL3200026 0.85 SLC6A2 (0.66) SLC6A2SLC6A4MTNR1AMTNR1BALDH1A1
SCHEMBL3211903 0.84 SLC6A2 (0.59) SLC6A2SLC6A4AOC3
SCHEMBL3202098 0.83 SLC6A2 (0.60) SLC6A2SLC6A4TRPM8AOC3ALDH1A1
SCHEMBL3189917 0.81 SLC6A2 (0.74) SLC6A2SLC6A4L3MBTL1MTNR1AMTNR1B
SCHEMBL13422514 0.81 SLC6A2 (0.74) SLC6A2SLC6A4L3MBTL1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3201172 0.80 SLC6A2 (0.73) SLC6A2SLC6A4L3MBTL1MTNR1AMTNR1B
SCHEMBL3190581 0.77 SLC6A2 (0.67) SLC6A2SLC6A4TRPM8
SCHEMBL13422574 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 6/4885L3MBTL1 4375/4885

“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.