SCHEMBL6164801

SCHEMBL6164801

COC(=O)c1cccc(-n2cc(COC3CCCCO3)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
EP300 Q09472 1/20 0.44
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.39
ESRRA P11474 1/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK10 P53779 1/20 0.38
GAA P10253 1/20 0.38
PPM1D O15297 1/20 0.38
NPC1 O15118 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
SCHEMBL6611947 0.88 MLLT3 (0.45) CREBBPEP300MLLT3MLLT1TP53
SCHEMBL6166837 0.87 MLLT3 (0.42) CREBBPEP300MLLT3MLLT1POLB
SCHEMBL4490282 0.82 PPM1D (0.49) CREBBPEP300NPSR1MRGPRX4L3MBTL1
SCHEMBL6165840 0.81 EP300 (0.40) CREBBPEP300TP53MEN1CYP2C19
SCHEMBL6167484 0.80 HSD11B1 (0.43) CREBBPEP300TP53MRGPRX4L3MBTL1
SCHEMBL6165266 0.80 GAA (0.40) CREBBPEP300TP53MEN1CYP2C19
SCHEMBL6607850 0.77 CREBBP (0.39) CREBBPEP300MLLT3MLLT1MAPK10
SCHEMBL6165131 0.76 TP53 (0.55) TP53POLBMEN1CYP2C19KMT2A
SCHEMBL23382198 0.76 ICAM1 (0.40) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL6164847 0.76 CREBBP (0.37) CREBBPEP300MLLT3MLLT1MEN1

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 CREBBP 970/4885EP300 3193/4885MLLT3 2277/4885

“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.