SCHEMBL3236242

SCHEMBL3236242

COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.54
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL3042528 0.91 SLC6A9 (0.47) SLC6A9CYP2C19SCN8ASCN10A
SCHEMBL3239439 0.90 SLC6A9 (0.44) SLC6A9SCN8ASCN10A
SCHEMBL17684221 0.89 SLC6A9 (0.55) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL3237991 0.88 SLC6A9 (0.40) SLC6A9SLC6A5
SCHEMBL3238143 0.87 SLC6A9 (0.39) SLC6A9
SCHEMBL1348087 0.86 SLC6A9 (0.54) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL3264265 0.85 SLC6A9 (0.41) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL3239420 0.84 SLC6A9 (0.54) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL3233066 0.84 SLC6A9 (0.51) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1349267 0.83 SLC6A9 (0.55) SLC6A9CYP2D6CYP2C19SLC6A5

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 7 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
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO 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 SLC6A9 13/4885CYP2D6 443/4885CYP2C19 623/4885

“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.