SCHEMBL3190841

SCHEMBL3190841

COc1ccc(C(C(O)C(N)=O)N(C)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.66
SLC6A4 P31645 7/20 0.66
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NPY5R Q15761 1/20 0.43
EPHX1 P07099 1/20 0.43
ACP3 P15309 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AOC3 Q16853 1/20 0.41
SRC P12931 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3191779 0.89 SLC6A2 (0.65) SLC6A2SLC6A4KDM4EHPGDNPY5R
SCHEMBL3211903 0.87 SLC6A2 (0.59) SLC6A2SLC6A4AOC3ALOX5
SCHEMBL3199766 0.87 SLC6A2 (0.50) SLC6A2SLC6A4HPGDNPC1RAB9A
SCHEMBL3201306 0.86 SLC6A2 (0.62) SLC6A2SLC6A4L3MBTL1AOC3ALDH1A1
SCHEMBL3210232 0.84 SLC6A2 (0.64) SLC6A2SLC6A4KDM4EHPGDNPY5R
SCHEMBL3199701 0.83 SLC6A2 (0.62) SLC6A2SLC6A4KDM4EHPGDNPY5R
SCHEMBL3205757 0.83 SLC6A2 (0.57) SLC6A2SLC6A4NPY5RACP3AOC3
SCHEMBL3197551 0.80 SLC6A2 (1.00) SLC6A2SLC6A4AOC3SRCALDH1A1
SCHEMBL13422506 0.80 SLC6A2 (1.00) SLC6A2SLC6A4AOC3SRCALDH1A1
SCHEMBL3202915 0.79 SLC6A2 (0.64) SLC6A2SLC6A4NPY5RACP3NPC1

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 6/4885KDM4E 1475/4885

“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.