SCHEMBL6165840

SCHEMBL6165840

COC(=O)c1cccc(-n2nccc2COC2CCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
GRM2 Q14416 1/20 0.37
HPGD P15428 2/20 0.37
PPM1D O15297 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPM1B O75688 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 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
SCHEMBL6167325 0.90 MEN1 (0.45) EP300CREBBPL3MBTL1GAAALDH1A1
SCHEMBL6167484 0.87 HSD11B1 (0.43) EP300CREBBPL3MBTL1GAAALDH1A1
SCHEMBL6164758 0.86 CREBBP (0.37) EP300CREBBPALDH1A1TP53HPGD
SCHEMBL6165266 0.85 GAA (0.40) EP300CREBBPL3MBTL1GAAALDH1A1
SCHEMBL6164801 0.81 CREBBP (0.44) EP300CREBBPL3MBTL1GAAALDH1A1
SCHEMBL6167402 0.80 HSD11B1 (0.46) L3MBTL1GAAALDH1A1TP53MEN1
SCHEMBL4490282 0.79 PPM1D (0.49) EP300CREBBPL3MBTL1ALDH1A1MRGPRX4
SCHEMBL6165919 0.77 TP53 (0.50) L3MBTL1GAAALDH1A1TP53GRM2
SCHEMBL5564507 0.76 PDE7A (0.41) L3MBTL1PDE4DPDE7AMEN1KMT2A
SCHEMBL6635699 0.75 CREBBP (0.35) EP300CREBBPL3MBTL1KMT2A

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 EP300 3193/4885CREBBP 970/4885L3MBTL1 2727/4885

“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.