SCHEMBL6166540

SCHEMBL6166540

CCCc1sc(-c2cccc(C(=O)OC)c2)nc1COC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.44
PDE4D Q08499 3/20 0.44
PDE4B Q07343 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
ALOX5 P09917 1/20 0.36
PPM1D O15297 1/20 0.35
DCK P27707 2/20 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
SCHEMBL6165033 0.88 ADORA3 (0.36) PDE7APDE4DPDE4BADORA3ALOX5
SCHEMBL6165616 0.81 PDE7A (0.48) PDE7APDE4DPDE4BMAPTLMNA
SCHEMBL6163621 0.81 PDE7A (0.46) PDE7APDE4DPDE4BMAPTKDM4E
SCHEMBL6167170 0.79 CPT2 (0.43) PDE7APDE4DPDE4BMAPTLMNA
SCHEMBL6167357 0.77 PDE7A (0.47) PDE7APDE4DPDE4BKDM4EADORA3
SCHEMBL6433928 0.77 CPT2 (0.48) PDE7APDE4DPDE4BMAPTLMNA
SCHEMBL6167701 0.77 NPC1 (0.44) PDE7APDE4DMAPTLMNAL3MBTL1
SCHEMBL6167181 0.77 PDE7A (0.43) PDE7APDE4DPDE4BMAPTLMNA
SCHEMBL12876153 0.77 FFAR1 (0.38) MAPTLMNAKDM4E
SCHEMBL6166557 0.76 CPT2 (0.41) PDE7APDE4DPDE4BMAPTADORA3

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 PDE7A 1472/4885PDE4D 611/4885PDE4B 623/4885

“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.