SCHEMBL3239591

SCHEMBL3239591

COc1cccc(OC)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
SLC6A9 P48067 1/20 0.47
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DRD2 P14416 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL3233013 0.93 SLC6A9 (0.42) KMT2AGAASLC6A9MAPTGFER
SCHEMBL3241436 0.92 SLC6A9 (0.41) KMT2AGAASLC6A9MAPTGFER
SCHEMBL12132690 0.91 SLC6A9 (0.40) KMT2AGAASLC6A9MAPTGFER
SCHEMBL3230703 0.86 TAS1R3 (0.45) KMT2AGAASLC6A9MAPTALDH1A1
SCHEMBL3239749 0.86 DRD3 (0.44) KMT2AGAASLC6A9ALDH1A1DRD2
SCHEMBL26840793 0.85 RXFP1 (0.38) KMT2ASLC6A9MAPTALDH1A1HPGD
SCHEMBL3243734 0.84 SLC6A9 (0.48) KMT2ASLC6A9ALDH1A1HPGDCYP1A2
SCHEMBL3236158 0.84 SLC6A9 (0.41) KMT2ASLC6A9MAPTALDH1A1HPGD
SCHEMBL3237806 0.84 ROCK2 (0.43) KMT2AGAASLC6A9MAPTALDH1A1
SCHEMBL3238301 0.83 SLC6A9 (0.47) KMT2ASLC6A9ALDH1A1HPGDCYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 KMT2A 1871/4885GAA 127/4885SLC6A9 13/4885

“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.