SCHEMBL6164513

SCHEMBL6164513

CC(C)(C)OC(=O)CC(=O)c1cccc(-c2nc(COC3CCCCO3)co2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.35
USP30 Q70CQ3 1/20 0.35
HPGD P15428 1/20 0.35
PPARA Q07869 5/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 3/20 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
SCHEMBL6166136 0.87 PDE7A (0.42) FFAR1PPARAKCNJ5KCNJ3KDM4C
SCHEMBL6165780 0.84 CPT2 (0.39) USP30PPARAKCNJ3
SCHEMBL5562921 0.84 USP30 (0.37) USP30KDM4CCREBBPEP300DRD2
SCHEMBL5557855 0.84 USP30 (0.38) USP30HPGDKDM4CCREBBPEP300
SCHEMBL6166741 0.84 MLLT1 (0.39) USP30HPGDPPARAMEN1KMT2A
SCHEMBL6164671 0.83 ALDH1A1 (0.38) USP30HPGDCREBBPEP300MEN1
SCHEMBL6164800 0.82 USP30 (0.37) USP30CREBBPEP300DRD2DRD3
SCHEMBL6164047 0.81 GABRA5 (0.40) USP30CREBBPEP300MEN1KMT2A
SCHEMBL6167360 0.81 NPC1 (0.39) USP30CREBBPEP300MEN1KMT2A
SCHEMBL6164557 0.80 USP30 (0.36) USP30KDM4CCREBBPEP300ICAM1

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 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
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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 FFAR1 2272/4885USP30 4156/4885HPGD 451/4885

“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.