SCHEMBL6167957

SCHEMBL6167957

Cn1ncc(COC2CCCCO2)c1-c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DHFR P00374 1/20 0.33
KCNH2 Q12809 2/20 0.33
MAPT P10636 2/20 0.32
MET P08581 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL6166434 0.83 PDE7A (0.44) KDM4CL3MBTL1
SCHEMBL6607953 0.81 CREBBP (0.38) KDM4CRXRAUSP30
SCHEMBL6166471 0.80 KDM4C (0.38) KDM4CRAB9ANPC1L3MBTL1CA1
SCHEMBL6164557 0.79 USP30 (0.36) KDM4CUSP30
SCHEMBL7189852 0.74 ICAM1 (0.39) KDM4CCA1CA2CA12CA9
SCHEMBL7852875 0.72 CA2 (0.45) KDM4CDHFRCA1CA2CA12
SCHEMBL29865973 0.72 CA2 (0.45) KDM4CDHFRCA1CA2CA12
SCHEMBL21156721 0.72 KDM4C (0.37) KDM4CRAB9ANPC1L3MBTL1MET
SCHEMBL8887331 0.71 KDM4C (0.41) KDM4CRAB9ANPC1L3MBTL1DHFR
SCHEMBL15639233 0.69 MAPK1 (0.44) KDM4CRAB9ANPC1L3MBTL1CA1

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 KDM4C 1086/4885RAB9A 1379/4885NPC1 947/4885

“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.