SCHEMBL4042396

SCHEMBL4042396

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)NC1CC2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.42
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CNR2 P34972 1/20 0.39
HSD17B10 Q99714 2/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL4042449 0.80 SMN1; SMN2 (0.40) SMN1; SMN2EPHX2ALDH1A1TSHR
SCHEMBL4042586 0.79 CTSD (0.41) SMN1; SMN2EPHX2ALDH1A1TSHR
SCHEMBL4044687 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL4044987 0.75 MMP8 (0.51) ALDH1A1
SCHEMBL4039656 0.75 HDAC1 (0.42) EPHX2ALDH1A1LMNAHTT
SCHEMBL4041195 0.71 MMP1 (0.41)
SCHEMBL3936972 0.70 REN (0.47) HPGDALDH1A1LMNA
SCHEMBL4040963 0.70 REN (0.47) HPGDALDH1A1LMNA
SCHEMBL4045052 0.70 LMNA (0.46) HPGDSMN1; SMN2LMNAHTT
SCHEMBL4039170 0.70 HPGD (0.41) HPGDSMN1; SMN2ALDH1A1KDM4EMAPK1

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 HPGD 1503/4885SMN1; SMN2 1239/4885EPHX2 324/4885

“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.