SCHEMBL1268405

SCHEMBL1268405

Nc1cc(N2CC(c3ccccc3)OC2=O)ccn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.55
FADS1 O60427 6/20 0.54
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
HSD11B1 P28845 2/20 0.46
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GRM2 Q14416 2/20 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
SCHEMBL1269334 0.80 FADS1 (0.39) HTR6FADS1ROCK2ROCK1
SCHEMBL9016279 0.80 FADS1 (0.79) HTR6FADS1ROCK2ROCK1HSD11B1
SCHEMBL1269516 0.79 GRM2 (0.67) GRM2
SCHEMBL1269301 0.77 GRM2 (0.71) GRM2
SCHEMBL1268264 0.77 GRM2 (0.51) GRM2
SCHEMBL1269230 0.75 HTR6 (0.44) HTR6FADS1ROCK2ROCK1HSD11B1
SCHEMBL1269233 0.75 HTR6 (0.55) HTR6ROCK2ROCK1
SCHEMBL1269318 0.74 GRM2 (0.51) GRM2
SCHEMBL5785493 0.73 FADS1 (0.65) HTR6FADS1ROCK2ROCK1HSD11B1
SCHEMBL7775135 0.73 FADS1 (0.65) HTR6FADS1ROCK2ROCK1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039893-A1 GSK-3BETA INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-02-17 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-20110039893-A1 GSK-3BETA INHIBITOR GSK3B, GSK3A, GSKIP HTR6 3561/4885FADS1 3210/4885ROCK2 793/4885

“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.