SCHEMBL4042586

SCHEMBL4042586

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)NC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHEK1 O14757 1/20 0.39
BRD4 O60885 3/20 0.37
HDAC8 Q9BY41 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CCR1 P32246 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.34
TSHR P16473 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL4042449 0.88 SMN1; SMN2 (0.40) CTSDSMN1; SMN2BRD4TDP1ALDH1A1
SCHEMBL4044687 0.85 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL4042396 0.79 HPGD (0.45) SMN1; SMN2ALDH1A1EPHX2TSHR
SCHEMBL4044987 0.77 MMP8 (0.51) ALDH1A1
SCHEMBL4039656 0.77 HDAC1 (0.42) HDAC8ALDH1A1EPHX2
SCHEMBL4041195 0.73 MMP1 (0.41) CTSD
SCHEMBL4046147 0.72 TSHR (0.44) SMN1; SMN2ALDH1A1TSHR
SCHEMBL3936972 0.72 REN (0.47) CYP2C19ALDH1A1
SCHEMBL4040963 0.72 REN (0.47) CYP2C19ALDH1A1
SCHEMBL4045052 0.72 LMNA (0.46) SMN1; SMN2

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 CTSD 1669/4885CYP3A4 646/4885CYP2C19 294/4885

“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.