SCHEMBL6433248

SCHEMBL6433248

COc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3nncc3COC3CCCCO3)c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.34
PTK2 Q05397 2/20 0.33
KMT2A Q03164 2/20 0.32
CXCR6 O00574 1/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CCR2 P41597 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
PDE4B Q07343 1/20 0.31
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL6435412 0.94 CREBBP (0.36) HSD11B1EP300CREBBPALDH1A1LMNA
SCHEMBL6433725 0.92 EP300 (0.33) HSD11B1KMT2AEP300CREBBPCCR2
SCHEMBL6433245 0.92 HSD11B1 (0.34) HSD11B1KMT2AEP300CREBBPCCR2
SCHEMBL6433275 0.92 EP300 (0.33) HSD11B1KMT2AEP300CREBBPCCR2
SCHEMBL6166485 0.91 EP300 (0.32) HSD11B1KMT2AEP300CREBBPCCR2
SCHEMBL6165170 0.91 POLB (0.33) HSD11B1KMT2AEP300CREBBPCCR2
SCHEMBL6166902 0.91 EP300 (0.32) HSD11B1KMT2AEP300CREBBPCCR2
SCHEMBL6435083 0.90 PLOD2 (0.35) EP300CREBBPALDH1A1LMNAMAPT
SCHEMBL6164832 0.89 EP300 (0.31) HSD11B1EP300CREBBPCCR2
SCHEMBL6167272 0.88 EP300 (0.31) EP300CREBBP

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-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 HSD11B1 300/4885PTK2 4372/4885KMT2A 1451/4885

“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.