SCHEMBL6433928

SCHEMBL6433928

COC(=O)c1cccc(-c2nc(COC3CCCCO3)sc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 2/20 0.48
CPT1A P50416 2/20 0.48
PDE7A Q13946 2/20 0.42
PDE4D Q08499 2/20 0.42
CPT1B Q92523 1/20 0.41
PDE4B Q07343 1/20 0.39
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
VDR P11473 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PPM1D O15297 1/20 0.35

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
SCHEMBL6166605 0.87 CPT2 (0.40) CPT2CPT1ACPT1BALDH1A1MEN1
SCHEMBL6167170 0.85 CPT2 (0.43) CPT2CPT1APDE7APDE4DCPT1B
SCHEMBL6165616 0.83 PDE7A (0.48) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6166557 0.81 CPT2 (0.41) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL5564396 0.80 PDE7A (0.40) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6165093 0.80 PDE7A (0.42) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6163621 0.80 PDE7A (0.46) CPT2CPT1APDE7APDE4DCPT1B
SCHEMBL6167181 0.79 PDE7A (0.43) PDE7APDE4DPDE4BALDH1A1MEN1
SCHEMBL6166136 0.78 PDE7A (0.42) PDE7APDE4DPDE4BALDH1A1MEN1
SCHEMBL6167701 0.77 NPC1 (0.44) PDE7APDE4DALDH1A1MEN1KMT2A

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 3 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
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

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 CPT2 2916/4885CPT1A 1539/4885PDE7A 1484/4885

“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.