SCHEMBL6166240

SCHEMBL6166240

COC(CBr)(OC)c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
CASR P41180 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PTPRC P08575 2/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL6165748 0.80 LOXL2 (0.49) ALDH1A1MAPT
SCHEMBL6165030 0.77 LOXL2 (0.49) CASRALDH1A1
SCHEMBL2316790 0.77 MEN1 (0.48) MEN1KMT2AALDH1A1MAPT
SCHEMBL8014554 0.76 SMN1; SMN2 (0.48) NPSR1MEN1KMT2AMAPT
SCHEMBL5621252 0.74 TP53BP1 (0.47) ACHEPTPRCALDH1A1MAPT
SCHEMBL768486 0.73 KMT2A (0.57) PTPRCERCC5FEN1MEN1KMT2A
SCHEMBL5869222 0.71 GSK3B (0.56) ALDH1A1
SCHEMBL5558795 0.70 KAT6A (0.41) ERCC5FEN1ALDH1A1MAPT
SCHEMBL5869531 0.70 MAPT (0.62) MEN1KMT2AALDH1A1MAPT
SCHEMBL449754 0.70 NPSR1 (0.57) ACHENPSR1MEN1KMT2AALDH1A1

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 ACHE 678/4885CASR 3483/4885NPSR1 359/4885

“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.