SCHEMBL6166557

SCHEMBL6166557

COC(=O)c1cccc(-c2ncsc2COC2CCCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
PDE7A Q13946 2/20 0.41
PDE4D Q08499 1/20 0.41
PDE4B Q07343 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
CSF1R P07333 1/20 0.37
CREBBP Q92793 2/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PPM1D O15297 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6167170 0.84 CPT2 (0.43) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6433928 0.81 CPT2 (0.48) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6165093 0.80 PDE7A (0.42) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6163621 0.80 PDE7A (0.46) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6167181 0.80 PDE7A (0.43) PDE7APDE4DPDE4BMEN1KMT2A
SCHEMBL5564507 0.80 PDE7A (0.41) PDE7APDE4DPDE4BMEN1KMT2A
SCHEMBL6165616 0.79 PDE7A (0.48) CPT2CPT1APDE7APDE4DPDE4B
SCHEMBL6167701 0.78 NPC1 (0.44) PDE7APDE4DMEN1KMT2AL3MBTL1
SCHEMBL4490282 0.78 PPM1D (0.49) CREBBPMRGPRX4L3MBTL1ALDH1A1PPM1D
SCHEMBL6165363 0.77 MEN1 (0.40) MEN1KMT2ACREBBPALDH1A1EP300

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-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 CPT2 2455/4885CPT1A 1106/4885PDE7A 1472/4885

“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.