SCHEMBL6433445

SCHEMBL6433445

CC(C)(C)OC(=O)Nc1cc(N2CCOCC2)c(C#N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
PRKDC P78527 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
CTSD P07339 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CSF1R P07333 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6165021 0.90 NPSR1 (0.40) HPGDSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL6165083 0.89 NPSR1 (0.41) HPGDSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL6437824 0.87 HDAC3 (0.34) HPGDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL6437854 0.84 ALDH1A1 (0.46) HPGDPRKDCLMNAALDH1A1L3MBTL1
SCHEMBL7139847 0.84 PRKDC (0.41) PRKDCSMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL7141573 0.83 PRKDC (0.44) PRKDCSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL5557435 0.81 ALDH1A1 (0.45) PRKDCSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL24121371 0.78 TRPA1 (0.37) AAK1
SCHEMBL18036475 0.77 LGMN (0.50) PRKDCSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL29524712 0.77 LGMN (0.50) PRKDCSMN1; SMN2KDM4ELMNAALDH1A1

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 HPGD 790/4885PRKDC 4860/4885SMN1; SMN2 306/4885

“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.