SCHEMBL3199766

SCHEMBL3199766

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
HPGD P15428 1/20 0.43
UTS2R Q9UKP6 6/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BCL2A1 Q16548 2/20 0.40
SLC2A1 P11166 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL3198738 0.90 SLC6A2 (0.52) SLC6A2SLC6A4HPGDUTS2RUSP2
SCHEMBL3190841 0.87 SLC6A2 (0.66) SLC6A2SLC6A4HPGDALDH1A1NPC1
SCHEMBL3197836 0.85 SLC6A2 (0.49) SLC6A2SLC6A4HPGDUTS2RUSP2
SCHEMBL3205757 0.84 SLC6A2 (0.57) SLC6A2SLC6A4NPC1RAB9ASLC2A1
SCHEMBL3212916 0.82 SLC6A2 (0.46) SLC6A2SLC6A4UTS2RUSP2ALDH1A1
SCHEMBL3189649 0.81 SLC6A2 (0.76) SLC6A2SLC6A4UTS2RCNR2SLC2A1
SCHEMBL13422508 0.81 SLC6A2 (0.76) SLC6A2SLC6A4UTS2RCNR2SLC2A1
Hydrochloric Acid SCHEMBL3210695 0.80 SLC6A2 (0.74) SLC6A2SLC6A4UTS2RCNR2SLC2A1
SCHEMBL3199701 0.79 SLC6A2 (0.62) SLC6A2SLC6A4HPGDALDH1A1
SCHEMBL3191779 0.79 SLC6A2 (0.65) SLC6A2SLC6A4HPGDALDH1A1NPC1

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 2 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
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 6/4885HPGD 602/4885

“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.