SCHEMBL3942873

SCHEMBL3942873

COC(=O)C(C)(CC(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
DGAT1 O75907 1/20 0.34
FPR2 P25090 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNN4 O15554 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
AR P10275 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
SCHEMBL15233863 0.89 MMP8 (0.53) MMP8DGAT1CYP2D6CYP2C19KCNN4
SCHEMBL6058507 0.82 MMP8 (0.44) MMP8FPR2GRM2GRM3CYP2D6
SCHEMBL7049637 0.82 MMP8 (0.43) MMP8DGAT1GRM2GRM3CYP2D6
SCHEMBL8166207 0.77 MMP8 (0.38) MMP8DGAT1FPR2GRM2GRM3
SCHEMBL4791578 0.76 DGAT1 (0.38) MMP8DGAT1CYP2D6CYP2C19KCNN4
SCHEMBL13788287 0.76 MMP8 (0.44) MMP8DGAT1CYP2D6CYP2C19KCNN4
SCHEMBL8200011 0.75 MMP8 (0.37) MMP8DGAT1FPR2GRM2GRM3
SCHEMBL28439076 0.74 TSHR (0.46) DGAT1CYP2D6CYP2C19KCNN4
SCHEMBL27503893 0.74 KDM4E (0.37) DGAT1CYP2D6CYP2C19KCNN4
SCHEMBL28455972 0.73 ALDH1A1 (0.39)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
US-7544679-B2 6-oxo-6,7-dihydro-5h-dibenzo[b,d]azepin-7-yl derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-09 US disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
US-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 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-20080188463-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES BACE1, BACE2, APH1B MMP8 4119/4885DGAT1 1591/4885FPR2 4190/4885

“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.