SCHEMBL2306830

SCHEMBL2306830

CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1NC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
BTK Q06187 1/20 0.43
GAA P10253 1/20 0.42
CTSK P43235 2/20 0.40

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
SCHEMBL2306823 1.00 KDM1A (0.46) KDM1AMAOBBTKGAACTSK
SCHEMBL2306821 1.00 KDM1A (0.46) KDM1AMAOBBTKGAACTSK
SCHEMBL2310415 0.93 BTK (0.48) KDM1AMAOBBTKGAA
SCHEMBL2310421 0.93 BTK (0.48) KDM1AMAOBBTKGAA
SCHEMBL2310417 0.93 BTK (0.48) KDM1AMAOBBTKGAA
SCHEMBL1991622 0.88 GAA (0.48) KDM1AMAOBBTKGAACTSK
SCHEMBL18926195 0.84 GAA (0.44) KDM1AMAOBBTKGAACTSK
SCHEMBL30191398 0.84 GAA (0.44) KDM1AMAOBBTKGAACTSK
SCHEMBL28626264 0.84 KDM1A (0.51) KDM1AMAOBBTKGAACTSK
SCHEMBL28626267 0.84 KDM1A (0.51) KDM1AMAOBBTKGAACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531190-B1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8524909-B2 Tetrahydro-pyran derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US disclosed
EP-2531190-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011095434-A1 TETRAHYDRO-PYRAN DERIVATIVES AGAINST NEUROLOGICAL ILLNESSES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 WO disclosed
US-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 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-20110190349-A1 TETRAHYDRO-PYRAN DERIVATIVES GLRA1, GRIA1, GLRA2 KDM1A 2201/4885MAOB 1609/4885BTK 3973/4885

“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.