SCHEMBL6433015

SCHEMBL6433015

CC(C)(C)OC(=O)Nc1cc(C#N)c(N2CCOCC2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR1 P21554 1/20 0.40
HPGD P15428 1/20 0.39
THRB P10828 1/20 0.39
RORC P51449 1/20 0.39
NPC1 O15118 1/20 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
SCHEMBL7143603 0.93 RXFP1 (0.43) RXFP1HTTTDP1ALDH1A1NPSR1
SCHEMBL7144967 0.91 RXFP1 (0.47) RXFP1HTTTDP1ALDH1A1L3MBTL1
SCHEMBL6436323 0.85 ALDH1A1 (0.40) TDP1ALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL7143091 0.83 RORC (0.35) RXFP1TDP1ALDH1A1RORC
SCHEMBL7141549 0.81 RORC (0.37) SMN1; SMN2THRBRORC
SCHEMBL7141582 0.81 RORC (0.38) RXFP1RORC
SCHEMBL6165176 0.81 GSK3B (0.39) ALDH1A1LMNAKDM4ERORC
SCHEMBL6167097 0.79 HDAC6 (0.38) ALDH1A1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL7109963 0.79 RXFP1 (0.45) RXFP1HTTTDP1ALDH1A1NPSR1
SCHEMBL6433300 0.78 PLOD2 (0.35) TDP1ALDH1A1NPSR1L3MBTL1MEN1

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 RXFP1 225/4885HTT 1549/4885TDP1 2199/4885

“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.