SCHEMBL1348087

SCHEMBL1348087

COc1cc(C(F)(F)F)cc(SC)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 14/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC6A5 Q9Y345 1/20 0.54

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
SCHEMBL3236242 0.86 SLC6A9 (0.54) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL3264265 0.86 SLC6A9 (0.41) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL5414112 0.86 SLC6A9 (0.42) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1349513 0.85 SLC6A9 (0.56) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1349692 0.84 SLC6A9 (0.55) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1348719 0.84 SLC6A9 (0.57) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1350223 0.83 SLC6A9 (0.54) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1349635 0.83 SLC6A9 (0.58) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1349630 0.82 SLC6A9 (0.53) SLC6A9CYP2D6CYP2C19SLC6A5
SCHEMBL1348675 0.82 SLC6A9 (0.51) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US claimed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US claimed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 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-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS GLRA1, GLRA2, GRIA1 SLC6A9 20/4885CYP2D6 832/4885CYP2C19 1265/4885

“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.