SCHEMBL6165093

SCHEMBL6165093

COC(=O)c1cccc(-c2nocc2COC2CCCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.42
PDE4D Q08499 1/20 0.42
GABRA5 P31644 6/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPM1D O15297 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.37
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL6634587 0.88 GABRA5 (0.44) GABRA5MEN1KMT2AGABRA1EP300
SCHEMBL6164047 0.87 GABRA5 (0.40) GABRA5MEN1KMT2AGABRA1EP300
SCHEMBL6167701 0.81 NPC1 (0.44) PDE7APDE4DALDH1A1MEN1KMT2A
SCHEMBL6167181 0.81 PDE7A (0.43) PDE7APDE4DALDH1A1MEN1KMT2A
SCHEMBL6166557 0.80 CPT2 (0.41) PDE7APDE4DALDH1A1MEN1KMT2A
SCHEMBL6166434 0.80 PDE7A (0.44) PDE7APDE4DALDH1A1MEN1KMT2A
SCHEMBL6167170 0.80 CPT2 (0.43) PDE7APDE4DALDH1A1MEN1KMT2A
SCHEMBL6433928 0.80 CPT2 (0.48) PDE7APDE4DALDH1A1MEN1KMT2A
SCHEMBL6166136 0.79 PDE7A (0.42) PDE7APDE4DALDH1A1MEN1KMT2A
SCHEMBL5564507 0.79 PDE7A (0.41) PDE7APDE4DMEN1KMT2ANR1H4

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 611/4885GABRA5 42/4885

“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.