SCHEMBL6164557

SCHEMBL6164557

Cn1ncc(COC2CCCCO2)c1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.36
CREBBP Q92793 2/20 0.35
EP300 Q09472 1/20 0.35
KDM4C Q9H3R0 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
PDE4D Q08499 2/20 0.33
PDE7A Q13946 2/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.32
GABRA5 P31644 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
EPHX2 P34913 1/20 0.32
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL6607953 0.91 CREBBP (0.38) USP30CREBBPEP300KDM4CPDE4D
SCHEMBL6166434 0.87 PDE7A (0.44) CREBBPEP300KDM4CPDE4DPDE7A
SCHEMBL6164800 0.84 USP30 (0.37) USP30CREBBPEP300PDE4DPDE7A
SCHEMBL6164047 0.81 GABRA5 (0.40) USP30CREBBPEP300MEN1KMT2A
SCHEMBL5557855 0.81 USP30 (0.38) USP30CREBBPEP300KDM4CICAM1
SCHEMBL6166741 0.81 MLLT1 (0.39) USP30MEN1KMT2A
SCHEMBL6168648 0.80 RORC (0.31) CREBBPEP300KMT2A
SCHEMBL6165780 0.80 CPT2 (0.39) USP30
SCHEMBL6164513 0.80 FFAR1 (0.35) USP30CREBBPEP300KDM4CICAM1
SCHEMBL5562921 0.80 USP30 (0.37) USP30CREBBPEP300KDM4CICAM1

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 4156/4885CREBBP 970/4885EP300 3193/4885

“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.