SCHEMBL6164987

SCHEMBL6164987

Cc1noc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)c1COC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.37
CREBBP Q92793 3/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
EP300 Q09472 1/20 0.35
ALDH1A1 P00352 1/20 0.35
USP30 Q70CQ3 1/20 0.35
ALOX5AP P20292 1/20 0.35
GABRA5 P31644 7/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL6607287 0.91 SLC6A9 (0.40) SLC6A9CREBBPBRD4BRD2EP300
SCHEMBL6162738 0.87 SLC6A9 (0.41) SLC6A9CREBBPBRD4BRD2EP300
SCHEMBL6167360 0.83 NPC1 (0.39) CREBBPEP300USP30GABRA5MEN1
SCHEMBL6166741 0.83 MLLT1 (0.39) SLC6A9ALDH1A1USP30MEN1KMT2A
SCHEMBL6165370 0.81 SLC6A9 (0.33) SLC6A9CREBBPEP300
SCHEMBL5562921 0.80 USP30 (0.37) CREBBPEP300ALDH1A1USP30MEN1
SCHEMBL6164047 0.80 GABRA5 (0.40) CREBBPEP300USP30GABRA5MEN1
SCHEMBL6164971 0.80 SLC6A9 (0.33) SLC6A9CREBBPEP300ALOX5APGABRA5
SCHEMBL5557855 0.80 USP30 (0.38) CREBBPEP300USP30GABRA5MEN1
SCHEMBL6164671 0.79 ALDH1A1 (0.38) CREBBPEP300ALDH1A1USP30MEN1

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 SLC6A9 3903/4885CREBBP 970/4885BRD4 179/4885

“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.