SCHEMBL6163574

SCHEMBL6163574

CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cc(COC4CCCCO4)nn3C)c2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.33
SLC16A1 P53985 6/20 0.33
MCTS1 Q9ULC4 3/20 0.32
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
FAAH O00519 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
SCHEMBL6609038 0.93 SLC16A3 (0.34) SLC16A3SLC16A1MCTS1EP300CREBBP
SCHEMBL6163707 0.88 USP30 (0.36)
SCHEMBL6164138 0.85 NPC1 (0.32) EP300CREBBP
SCHEMBL6165370 0.83 SLC6A9 (0.33) EP300CREBBP
SCHEMBL5562738 0.82 AAK1 (0.32) EP300CREBBPHTR2CSLC6A4
SCHEMBL6164800 0.81 USP30 (0.37) SLC16A3SLC16A1MCTS1EP300CREBBP
SCHEMBL6164847 0.81 CREBBP (0.37) EP300CREBBP
SCHEMBL6165821 0.81 HSD11B1 (0.33) EP300CREBBP
SCHEMBL6163680 0.81 ALDH1A1 (0.34)
SCHEMBL5563415 0.81 AAK1 (0.32)

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 SLC16A3 4167/4885SLC16A1 3534/4885MCTS1 4056/4885

“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.