SCHEMBL6165030

SCHEMBL6165030

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
CASR P41180 1/20 0.47
TSHR P16473 2/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FOLH1 Q04609 1/20 0.43
SLC7A5 Q01650 2/20 0.43
ALDH1A1 P00352 2/20 0.42
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
SCHEMBL19283953 0.88 LOXL2 (0.47) LOXL2CYP4F2CYP4A11CASRTSHR
SCHEMBL1505243 0.85 LOXL2 (0.56) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL558157 0.84 TSHR (0.53) LOXL2CYP4F2CYP4A11TSHRRAB9A
SCHEMBL8014554 0.83 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2
SCHEMBL25203341 0.82 PTPRC (0.57) LOXL2CYP4F2CYP4A11CASRTSHR
SCHEMBL30407803 0.82 PTPRC (0.57) LOXL2CYP4F2CYP4A11CASRTSHR
SCHEMBL5621252 0.82 TP53BP1 (0.47) SLC7A5ALDH1A1
SCHEMBL2316790 0.82 MEN1 (0.48) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
SCHEMBL29214273 0.81 LOXL2 (0.59) LOXL2CYP4F2CYP4A11CASRTSHR
SCHEMBL768486 0.80 KMT2A (0.57) TSHRRAB9APOLBNPC1SMN1; SMN2

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.