SCHEMBL6163621

SCHEMBL6163621

COC(=O)c1cccc(-c2nc(COC3CCCCO3)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.46
PDE4D Q08499 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 1/20 0.45
PDE4B Q07343 1/20 0.44
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARA Q07869 2/20 0.40
TP53 P04637 2/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
PPARG P37231 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6165780 0.87 CPT2 (0.39) SMN1; SMN2MAPK1MAPTRAB9AALDH1A1
SCHEMBL6167181 0.85 PDE7A (0.43) PDE7APDE4DSMN1; SMN2PDE4BMAPT
SCHEMBL5564507 0.85 PDE7A (0.41) PDE7APDE4DPDE4BKDM4E
SCHEMBL6165616 0.83 PDE7A (0.48) PDE7APDE4DSMN1; SMN2PDE4BMAPT
SCHEMBL6166136 0.83 PDE7A (0.42) PDE7APDE4DSMN1; SMN2PDE4BRAB9A
SCHEMBL5564396 0.83 PDE7A (0.40) PDE7APDE4DSMN1; SMN2PDE4BALDH1A1
SCHEMBL6167701 0.81 NPC1 (0.44) PDE7APDE4DSMN1; SMN2MAPTRAB9A
SCHEMBL6166540 0.81 PDE7A (0.44) PDE7APDE4DPDE4BMAPTCPT2
SCHEMBL6165227 0.80 PDE4D (0.47) PDE7APDE4DPDE4BALDH1A1
SCHEMBL6166557 0.80 CPT2 (0.41) PDE7APDE4DPDE4BMAPTALDH1A1

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 10 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-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
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-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-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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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
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 (2 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 611/4885SMN1; SMN2 528/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 PDE7A 1484/4885PDE4D 993/4885SMN1; 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.