SCHEMBL5562845

SCHEMBL5562845

CCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cccnc3)c2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 6/20 0.42
SCN9A Q15858 6/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
PKM P14618 1/20 0.40
HTR2B P41595 2/20 0.38
AAK1 Q2M2I8 1/20 0.37
CSF1R P07333 2/20 0.37
KIT P10721 2/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL5557540 0.94 SCN5A (0.41) SCN5ASCN9AHTR2AHTR2CCYP1A2
SCHEMBL5564393 0.94 SCN5A (0.44) SCN5ASCN9AHTR2AHTR2CCYP1A2
SCHEMBL5559381 0.93 HTR2A (0.41) SCN5ASCN9AHTR2AHTR2CLMNA
SCHEMBL5562819 0.92 AAK1 (0.39) KDM4EAAK1
SCHEMBL5562768 0.92 HTR2C (0.46) SCN5ASCN9AHTR2AHTR2CLMNA
SCHEMBL5563518 0.92 GRM2 (0.44) SCN5ASCN9ALMNAAAK1
SCHEMBL5562197 0.91 SCN5A (0.42) SCN5ASCN9AHTR2AHTR2CCYP1A2
SCHEMBL5559219 0.90 HTR2A (0.44) SCN5ASCN9AHTR2AHTR2CCYP1A2
SCHEMBL5559816 0.89 GRM2 (0.46) LMNAAAK1
SCHEMBL5557450 0.89 SCN5A (0.42) SCN5ASCN9AMKNK1MKNK2CSF1R

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 6 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
EP-1651234-B1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC 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 1189/4885HTR2A 299/4885

“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.