SCHEMBL6165748

SCHEMBL6165748

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.44
TSHR P16473 1/20 0.44
TCF4 P15884 2/20 0.44
CTNNB1 P35222 2/20 0.44
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SLC7A5 Q01650 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL6166240 0.80 ACHE (0.42) ALDH1A1MAPT
SCHEMBL28661563 0.79 LOXL2 (0.47) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL2892597 0.77 TSHR (0.53) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL1787501 0.77 ACHE (0.59) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL29966404 0.76 TSHR (0.67) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL40351 0.76 CES2 (0.65) RAB9APOLBALDH1A1MAPTMRGPRX4
SCHEMBL548002 0.76 TSHR (0.52) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL31355711 0.76 CES2 (0.65) RAB9APOLBALDH1A1MAPTMRGPRX4
SCHEMBL5372608 0.75 TSHR (0.52) LOXL2CYP4F2CYP4A11RAB9APOLB
SCHEMBL1787753 0.75 LOXL2 (0.51) LOXL2CYP4F2CYP4A11RAB9APOLB

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 LOXL2 3737/4885CYP4F2 405/4885CYP4A11 201/4885

“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.