SCHEMBL6166471

SCHEMBL6166471

Cn1nc(COC2CCCCO2)cc1-c1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 3/20 0.37
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
USP30 Q70CQ3 1/20 0.34
PDE4D Q08499 1/20 0.34
CA2 P00918 5/20 0.33
CA1 P00915 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
FAAH O00519 1/20 0.33
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32

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
SCHEMBL6165227 0.82 PDE4D (0.47) SLC16A3SLC16A1PDE4DL3MBTL1FAAH
SCHEMBL6609371 0.81 CREBBP (0.38) SLC16A3SLC16A1USP30PDE4DFAAH
SCHEMBL6167957 0.80 KDM4C (0.39) KDM4CRAB9ANPC1USP30CA2
SCHEMBL6164800 0.79 USP30 (0.37) SLC16A3SLC16A1USP30PDE4DFAAH
SCHEMBL7189852 0.75 ICAM1 (0.39) KDM4CCA2CA1CA12CA9
SCHEMBL29865973 0.73 CA2 (0.45) KDM4CCA2CA1CA12CA9
SCHEMBL7852875 0.73 CA2 (0.45) KDM4CCA2CA1CA12CA9
SCHEMBL18302098 0.71 KDM4C (0.45) KDM4CRAB9ANPC1CA2CA1
SCHEMBL6163522 0.70 KCNH2 (0.40) CA2CA1CA9
SCHEMBL3889222 0.70 KDM4C (0.46) KDM4CRAB9ANPC1CA2CA1

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 1086/4885SLC16A3 4167/4885SLC16A1 3534/4885

“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.