SCHEMBL1348599

SCHEMBL1348599

CSc1cc(C(F)(F)F)ccc1C(=O)NC(c1ccccc1)C1(N2CCOCC2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.50
TACR1 P25103 5/20 0.44
KCNK3 O14649 3/20 0.40
MTTP P55157 1/20 0.40
TACR3 P29371 2/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1347772 0.93 SLC6A9 (0.53) SLC6A9MTTPGAA
SCHEMBL1349456 0.92 SLC6A9 (0.52) SLC6A9MTTPGAA
SCHEMBL1350169 0.90 SLC6A9 (0.54) SLC6A9MTTPGAA
SCHEMBL1350134 0.88 SLC6A9 (0.49) SLC6A9TACR1KCNK3
SCHEMBL1350715 0.88 SLC6A9 (0.49) SLC6A9TACR1KCNK3MTTPGAA
SCHEMBL1349967 0.87 SLC6A9 (0.48) SLC6A9TACR1TACR3
SCHEMBL3264199 0.87 SLC6A9 (0.47) SLC6A9MTTP
SCHEMBL1350069 0.85 SLC6A9 (0.46) SLC6A9KCNK3GAA
SCHEMBL1349875 0.84 SLC6A9 (0.46) SLC6A9GAA
SCHEMBL1349630 0.84 SLC6A9 (0.53) SLC6A9

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-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 20/4885TACR1 102/4885KCNK3 1383/4885

“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.