SCHEMBL4045730

SCHEMBL4045730

CCCCNC(=O)[C@H](C[C@@H](O)[CH]CC(C)C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
DPP7 Q9UHL4 2/20 0.37
REN P00797 7/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
RRM1 P23921 1/20 0.35
EPHX1 P07099 2/20 0.34
BCHE P06276 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
NAAA Q02083 2/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33

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
SCHEMBL3936972 0.78 REN (0.47) MMP8RENNAAA
SCHEMBL4040963 0.78 REN (0.47) MMP8RENNAAA
SCHEMBL5730463 0.77 REN (0.41) RENNAAA
SCHEMBL4047233 0.77 CHRND (0.44)
SCHEMBL4038910 0.74 CHRND (0.48) REN
SCHEMBL10914303 0.69 DPP7 (0.50) DPP7RENRRM1EPHX1GNAI3
SCHEMBL9516437 0.68 MMP8 (0.55) MMP8DPP7FNTAFNTBRRM1
SCHEMBL5267266 0.68 DPP7 (0.49) MMP8DPP7RENFNTAFNTB
SCHEMBL8815679 0.67 MEN1 (0.55) MMP8DPP7RRM1EPHX1NAAA
SCHEMBL10769018 0.67 MMP8 (0.51) MMP8DPP7FNTAFNTBRRM1

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 MMP8 4741/4885DPP7 1668/4885REN 717/4885

“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.