SCHEMBL6163897

SCHEMBL6163897

COC(=O)c1cccc(-n2nncc2CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.58
TP53 P04637 2/20 0.53
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6165700 0.85 HSD11B1 (0.59) HSD11B1TP53ALDH1A1HPGDKDM4E
SCHEMBL6166266 0.84 TP53 (0.52) HSD11B1TP53ALDH1A1MAPTHPGD
SCHEMBL6167402 0.77 HSD11B1 (0.46) HSD11B1TP53ALDH1A1MEN1KMT2A
SCHEMBL6167484 0.74 HSD11B1 (0.43) HSD11B1TP53ALDH1A1
SCHEMBL6165919 0.73 TP53 (0.50) TP53CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL2360571 0.70 TP53 (0.59) TP53ALDH1A1MAPTHPGDCYP1A2
SCHEMBL5868847 0.70 TP53 (0.67) TP53CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL46931 0.70 CYP4A11 (1.00) CYP4F2CYP4A11ALDH1A1MAPTHPGD
SCHEMBL6626656 0.69 HSD11B1 (0.52) HSD11B1TP53
SCHEMBL9284137 0.69 TP53 (0.68) TP53ALDH1A1MAPTHPGDCYP1A2

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 HSD11B1 175/4885TP53 4859/4885CYP4F2 405/4885

“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.