SCHEMBL4038825

SCHEMBL4038825

Cc1cccc([C@H](NC[C@H](O)[CH]Cc2ccccc2)C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SYK P43405 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL4047002 0.88 EPHX1 (0.42) MEN1KMT2A
SCHEMBL4041249 0.87 MTNR1A (0.48) OPRM1TDP1L3MBTL1
SCHEMBL4039175 0.84 CYP2D6 (0.41) CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3939381 0.73 BCHE (0.47)
SCHEMBL4044904 0.72 EPHX1 (0.51) CYP2C19POLBL3MBTL1
SCHEMBL4041830 0.71 METAP2 (0.41) CYP2D6CYP2C19OPRM1
SCHEMBL28568153 0.71 SYK (0.52) POLBMEN1KMT2ASYKTDP1
SCHEMBL13710921 0.70 SYK (0.47) CYP2D6CYP2C19SYKACP3
SCHEMBL28609672 0.68 EPHX1 (0.71) CYP2C19POLBMEN1KMT2ARAB9A
SCHEMBL29608984 0.68 EPHX1 (0.71) CYP2C19POLBMEN1KMT2ARAB9A

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 CYP2D6 613/4885CYP2C19 294/4885POLB 3454/4885

“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.