SCHEMBL20031035

SCHEMBL20031035

BN(C(=O)OC(C)(C)C)[C@H](C=O)CC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL5051892 0.82 CTSK (0.35) CTSKHDAC6HDAC1HDAC2
SCHEMBL20031069 0.81 CTSK (0.35) CTSKHDAC6HDAC1HDAC2
SCHEMBL23177168 0.78 HDAC6 (0.36) CTSKHDAC6HDAC1HDAC2
SCHEMBL16281194 0.69 CTSK (0.35) CTSKHDAC6HDAC1HDAC2
SCHEMBL14023363 0.68 CTSK (0.35) CTSKHDAC6HDAC1HDAC2
SCHEMBL7385821 0.68 AAK1 (0.39) CTSKHDAC6HDAC1HDAC2
SCHEMBL7657774 0.68 AAK1 (0.39) CTSKHDAC6HDAC1HDAC2
SCHEMBL12829294 0.68 HDAC6 (0.38) CTSKHDAC6HDAC1HDAC2
SCHEMBL6674299 0.68 AAK1 (0.39) CTSKHDAC6HDAC1HDAC2
SCHEMBL5657578 0.67 CTSK (0.34) CTSKHDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2019-07-02 US disclosed
US-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-04-05 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 (2 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-20180093974-A1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS CNR1, HCRTR1, CNR2 CTSK 3392/4885HDAC6 59/4885HDAC1 10/4885
US-10336732-B2 1-heterocyclyl isochromanyl compounds and analogs for treating CNS disorders CNR1, HCRTR1, CNR2 CTSK 3392/4885HDAC6 59/4885HDAC1 10/4885

“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.