SCHEMBL1348717

SCHEMBL1348717

CSc1cc(C(F)(F)F)cc(O)c1C(=O)NC(c1ccccc1)C1(N2CCCC2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 19/20 0.42
SLC6A5 Q9Y345 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1350061 0.91 SLC6A9 (0.42) SLC6A9SLC6A5CYP2D6CYP2C19
SCHEMBL1349513 0.89 SLC6A9 (0.56) SLC6A9SLC6A5CYP2D6CYP2C19
SCHEMBL1348082 0.88 SLC6A9 (0.43) SLC6A9SLC6A5CYP2D6CYP2C19
SCHEMBL1349692 0.88 SLC6A9 (0.55) SLC6A9SLC6A5CYP2D6CYP2C19
SCHEMBL1348719 0.86 SLC6A9 (0.57) SLC6A9SLC6A5CYP2D6CYP2C19
SCHEMBL1347772 0.85 SLC6A9 (0.53) SLC6A9SLC6A5CYP2D6CYP2C19MEN1
SCHEMBL1349456 0.85 SLC6A9 (0.52) SLC6A9SLC6A5CYP2D6CYP2C19MEN1
SCHEMBL1350223 0.83 SLC6A9 (0.54) SLC6A9SLC6A5CYP2D6CYP2C19
SCHEMBL1349635 0.83 SLC6A9 (0.58) SLC6A9SLC6A5CYP2D6CYP2C19
SCHEMBL1350169 0.83 SLC6A9 (0.54) SLC6A9SLC6A5CYP2D6CYP2C19MEN1

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 20/4885SLC6A5 10/4885CYP2D6 832/4885

“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.