SCHEMBL6435357

SCHEMBL6435357

CC(C)(C)OC(=O)Nc1cc(N2CCSCC2)c(C(F)(F)F)cc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC2 Q92769 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
LGMN Q99538 1/20 0.34
AAK1 Q2M2I8 4/20 0.34
RORC P51449 1/20 0.34
S1PR1 P21453 1/20 0.33
CFTR P13569 1/20 0.33
WDR5 P61964 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
SCHEMBL5562842 0.90 MAPT (0.40) LMNAPOLBMAPTS1PR1
SCHEMBL6163685 0.90 LMNA (0.39) LMNAPOLBRXFP1MEN1MAPT
SCHEMBL5557435 0.87 ALDH1A1 (0.45) LMNAPOLBMAPTAAK1
SCHEMBL6469844 0.86 LMNA (0.37) LMNAPOLBRXFP1MEN1MAPT
SCHEMBL7141822 0.84 LGMN (0.35) HDAC2HDAC1HDAC3LGMNAAK1
SCHEMBL6439266 0.83 SERPINE1 (0.42) LMNAPOLBRXFP1MAPT
SCHEMBL6437824 0.81 HDAC3 (0.34) LMNARXFP1MEN1MAPTKMT2A
SCHEMBL2316853 0.77 LMNA (0.44) LMNAPOLBRXFP1AAK1CFTR
SCHEMBL5563358 0.77 LMNA (0.44) LMNAPOLBRXFP1AAK1RORC
SCHEMBL29430784 0.77 LMNA (0.44) LMNAPOLBRXFP1AAK1RORC

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 LMNA 3113/4885POLB 3730/4885RXFP1 225/4885

“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.