SCHEMBL4041249

SCHEMBL4041249

COc1cccc([C@H](NC[C@H](O)[CH]Cc2ccccc2)C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CASR P41180 1/20 0.46
AOC3 Q16853 1/20 0.45
BCHE P06276 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.42

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
SCHEMBL4038825 0.87 CYP2D6 (0.40) L3MBTL1OPRM1TDP1
SCHEMBL4047002 0.86 EPHX1 (0.42) AOC3
SCHEMBL4039175 0.82 CYP2D6 (0.41) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27593038 0.76 DNM1 (0.55) BCHE
SCHEMBL7054663 0.76 DNM1 (0.55) BCHE
SCHEMBL13710920 0.71 L3MBTL1 (0.57) MTNR1AMTNR1BL3MBTL1AOC3TRPM8
SCHEMBL29609868 0.71 EPHX1 (0.65) MTNR1AMTNR1BL3MBTL1CASRTRPM8
SCHEMBL28617579 0.71 EPHX1 (0.65) MTNR1AMTNR1BL3MBTL1CASRTRPM8
SCHEMBL3939381 0.71 BCHE (0.47) BCHE
SCHEMBL4044904 0.70 EPHX1 (0.51) L3MBTL1BCHE

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
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE MTNR1A 1508/4885MTNR1B 549/4885L3MBTL1 4768/4885

“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.