SCHEMBL6164047

SCHEMBL6164047

CC(C)(C)OC(=O)CC(=O)c1cccc(-c2nocc2COC2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 14/20 0.40
GABRA1 P14867 1/20 0.38
USP30 Q70CQ3 1/20 0.35
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6634587 0.89 GABRA5 (0.44) GABRA5GABRA1CREBBPEP300MEN1
SCHEMBL6165093 0.87 PDE7A (0.42) GABRA5GABRA1CREBBPEP300MEN1
SCHEMBL6167360 0.82 NPC1 (0.39) GABRA5USP30CREBBPEP300MEN1
SCHEMBL6166741 0.82 MLLT1 (0.39) USP30MEN1KMT2A
SCHEMBL6164557 0.81 USP30 (0.36) GABRA5USP30CREBBPEP300MEN1
SCHEMBL6163591 0.81 CPT2 (0.35) GABRA5USP30CREBBPEP300MEN1
SCHEMBL6166605 0.81 CPT2 (0.40) GABRA5USP30CREBBPEP300MEN1
SCHEMBL6164513 0.81 FFAR1 (0.35) USP30CREBBPEP300MEN1KMT2A
SCHEMBL5557855 0.81 USP30 (0.38) GABRA5USP30CREBBPEP300MEN1
SCHEMBL6164987 0.80 SLC6A9 (0.37) GABRA5USP30CREBBPEP300MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 GABRA5 42/4885GABRA1 26/4885USP30 4156/4885

“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.