SCHEMBL3189649

SCHEMBL3189649

COc1ccc(C(C(O)CN)N(C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.76
SLC6A4 P31645 8/20 0.76
AOC3 Q16853 3/20 0.43
GAA P10253 1/20 0.43
UTS2R Q9UKP6 6/20 0.41
SLC2A1 P11166 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL13422508 1.00 SLC6A2 (0.76) SLC6A2SLC6A4AOC3GAAUTS2R
Hydrochloric Acid SCHEMBL3210695 0.99 SLC6A2 (0.74) SLC6A2SLC6A4AOC3GAAUTS2R
SCHEMBL3197551 0.86 SLC6A2 (1.00) SLC6A2SLC6A4AOC3
SCHEMBL13422506 0.86 SLC6A2 (1.00) SLC6A2SLC6A4AOC3
Hydrochloric Acid SCHEMBL3201250 0.85 SLC6A2 (0.97) SLC6A2SLC6A4AOC3
SCHEMBL13422564 0.85 SLC6A2 (0.77) SLC6A2SLC6A4GAAUTS2R
SCHEMBL3212922 0.85 SLC6A2 (0.77) SLC6A2SLC6A4GAAUTS2R
Hydrochloric Acid SCHEMBL3203401 0.84 SLC6A2 (0.76) SLC6A2SLC6A4GAAUTS2R
SCHEMBL3190294 0.83 SLC6A2 (0.60) SLC6A2SLC6A4GAAUTS2RCNR2
SCHEMBL13422555 0.83 SLC6A2 (0.60) SLC6A2SLC6A4GAAUTS2RCNR2

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 9 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 claimed
WO-2008042362-A1 ARYLAMINO-ARYLPROPANOLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-04-10 WO claimed
US-20080085938-A1 Arylamino-Arylpropanolamine Derivatives and Methods of Their Use WYETH (US) 2008-04-10 US claimed
US-7671238-B2 Arylamino-arylpropanolamine derivatives and methods of their use WYETH LLC (US) 2010-03-02 US disclosed
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
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
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 6/4885AOC3 778/4885

“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.