SCHEMBL3199701

SCHEMBL3199701

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.62
SLC6A4 P31645 10/20 0.62
NPY5R Q15761 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
ROCK2 O75116 1/20 0.42
LMNA P02545 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL3191779 0.94 SLC6A2 (0.65) SLC6A2SLC6A4NPY5RTDP1ACP3
SCHEMBL3205757 0.94 SLC6A2 (0.57) SLC6A2SLC6A4NPY5RACP3
SCHEMBL3198738 0.89 SLC6A2 (0.52) SLC6A2SLC6A4ALDH1A1HPGD
SCHEMBL3202915 0.87 SLC6A2 (0.64) SLC6A2SLC6A4NPY5RTDP1ACP3
SCHEMBL3190940 0.86 SLC6A2 (0.58) SLC6A2SLC6A4LMNA
SCHEMBL3190947 0.86 SLC6A2 (0.58) SLC6A2SLC6A4LMNA
SCHEMBL3207162 0.85 SLC6A2 (0.65) SLC6A2SLC6A4TDP1ALDH1A1
SCHEMBL3212618 0.84 SLC6A2 (0.62) SLC6A2SLC6A4NPY5RALDH1A1KDM4E
SCHEMBL3189006 0.84 SLC6A2 (0.59) SLC6A2SLC6A4ALDH1A1KDM4ELMNA
SCHEMBL3190841 0.83 SLC6A2 (0.66) SLC6A2SLC6A4NPY5RTDP1ACP3

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 6/4885NPY5R 231/4885

“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.