SCHEMBL6165033

SCHEMBL6165033

CCCc1sc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)nc1COC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
DCK P27707 3/20 0.34
ALOX5 P09917 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
PDE7A Q13946 4/20 0.33
PDE4D Q08499 3/20 0.33
USP30 Q70CQ3 1/20 0.33
CREBBP Q92793 2/20 0.32
PDE4B Q07343 1/20 0.32
EP300 Q09472 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL6166540 0.88 PDE7A (0.44) ADORA3DCKALOX5PDE7APDE4D
SCHEMBL6166791 0.86 ADORA3 (0.36) ADORA3ICAM1SELEPDE7AUSP30
SCHEMBL6168187 0.82 HRH3 (0.36) ICAM1SELEPDE7APDE4DUSP30
SCHEMBL6165780 0.82 CPT2 (0.39) USP30
SCHEMBL6163591 0.81 CPT2 (0.35) ADORA3ICAM1SELEPDE7APDE4D
SCHEMBL6166564 0.79 KDM4C (0.37) ADORA3ICAM1SELEPDE7APDE4D
SCHEMBL6166605 0.79 CPT2 (0.40) ADORA3ICAM1SELEUSP30CREBBP
SCHEMBL6166741 0.79 MLLT1 (0.39) ALOX5USP30
SCHEMBL6167360 0.79 NPC1 (0.39) USP30CREBBPEP300
SCHEMBL5562921 0.77 USP30 (0.37) ICAM1SELEUSP30CREBBPPDE4B

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 ADORA3 473/4885DCK 3619/4885ALOX5 1697/4885

“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.