SCHEMBL5556575

SCHEMBL5556575

Cc1ccc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
P2RX7 Q99572 2/20 0.38
ERCC5 P28715 2/20 0.38
FEN1 P39748 2/20 0.38
FGFR3 P22607 1/20 0.37
MET P08581 1/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL5557654 0.87 MEN1 (0.45) MAPTALDH1A1P2RX7ERCC5FEN1
SCHEMBL5558020 0.84 GRM5 (0.41) ERCC5FEN1FGFR3ACACBACACA
SCHEMBL5556872 0.83 PTGES (0.37) MAPTALDH1A1ERCC5FEN1ACACB
SCHEMBL5558349 0.83 CTSV (0.43) MAPTALDH1A1ERCC5FEN1ACACB
SCHEMBL5562386 0.82 ERCC5 (0.43) MAPTERCC5FEN1ACACBACACA
SCHEMBL5562745 0.82 ERCC5 (0.42) ERCC5FEN1MAPK1
SCHEMBL5564018 0.82 AAK1 (0.48) MAPTALDH1A1ERCC5FEN1ACACB
SCHEMBL27597148 0.82 ERCC5 (0.47) MAPTALDH1A1P2RX7ERCC5FEN1
SCHEMBL5562413 0.81 GRIA2 (0.37) MAPTERCC5FEN1ACACBACACA
SCHEMBL5557468 0.81 BRAF (0.40) ERCC5FEN1FGFR3ACACBACACA

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-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 GPR119 1803/4885MAPT 1336/4885ALDH1A1 314/4885

“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.