SCHEMBL5563385

SCHEMBL5563385

CCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cccnc3C3CC3)c2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 5/20 0.37
SCN9A Q15858 5/20 0.37
AAK1 Q2M2I8 6/20 0.35
KDM4E B2RXH2 1/20 0.34
UGCG Q16739 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
METAP1 P53582 1/20 0.33
S1PR1 P21453 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL5563152 0.90 SCN9A (0.39) SCN5ASCN9AAAK1UGCG
SCHEMBL5564226 0.88 AAK1 (0.39) AAK1KDM4E
SCHEMBL5556581 0.88 SCN5A (0.38) SCN5ASCN9AAAK1UGCG
SCHEMBL5562452 0.87 MEN1 (0.39) SCN5ASCN9AUGCG
SCHEMBL5557045 0.86 AAK1 (0.37) AAK1UGCG
SCHEMBL5562983 0.85 AAK1 (0.39) AAK1
SCHEMBL5557609 0.85 AAK1 (0.38) AAK1
SCHEMBL5557312 0.85 SCN9A (0.44) SCN5ASCN9AAAK1HTR2AHTR2C
SCHEMBL5562845 0.84 SCN5A (0.42) SCN5ASCN9AAAK1KDM4EHTR2A
SCHEMBL5563518 0.84 GRM2 (0.44) SCN5ASCN9AAAK1

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 SCN5A 303/4885SCN9A 1189/4885AAK1 2928/4885

“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.