SCHEMBL6164800

SCHEMBL6164800

Cn1nc(COC2CCCCO2)cc1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
FAAH O00519 1/20 0.36
SLC16A3 O15427 11/20 0.35
SLC16A1 P53985 11/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
PDE4D Q08499 2/20 0.35
PDE7A Q13946 2/20 0.35
MCTS1 Q9ULC4 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL6609371 0.91 CREBBP (0.38) USP30FAAHSLC16A3SLC16A1EP300
SCHEMBL6165227 0.87 PDE4D (0.47) FAAHSLC16A3SLC16A1EP300CREBBP
SCHEMBL6164557 0.84 USP30 (0.36) USP30EP300CREBBPPDE4DPDE7A
SCHEMBL6166741 0.83 MLLT1 (0.39) USP30
SCHEMBL5557855 0.83 USP30 (0.38) USP30EP300CREBBP
SCHEMBL6165780 0.82 CPT2 (0.39) USP30
SCHEMBL6164513 0.82 FFAR1 (0.35) USP30EP300CREBBPDRD2DRD3
SCHEMBL6163608 0.82 USP30 (0.37) USP30EP300CREBBPDRD2DRD3
SCHEMBL5562921 0.82 USP30 (0.37) USP30EP300CREBBPDRD2
SCHEMBL6163574 0.81 SLC16A3 (0.33) FAAHSLC16A3SLC16A1EP300CREBBP

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 USP30 4156/4885FAAH 606/4885SLC16A3 4167/4885

“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.