SCHEMBL4044662

SCHEMBL4044662

NC(=O)c1ccccc1CCNC[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.39
ADRB2 P07550 5/20 0.39
CYP2D6 P10635 4/20 0.39
LMNA P02545 4/20 0.39
ADRB1 P08588 4/20 0.39
CYP1A2 P05177 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRB3 P13945 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
THPO P40225 2/20 0.39
HIF1A Q16665 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1B P35368 2/20 0.39
ADRA2C P18825 2/20 0.39

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
SCHEMBL4049170 0.93 MPO (0.39) ABCB1ADRB2CYP2D6LMNAADRB1
SCHEMBL4038893 0.92 SLC6A5 (0.39) ABCB1ADRB2CYP2D6LMNAADRB1
SCHEMBL4045617 0.83 ADRB1 (0.36) ABCB1ADRB2CYP2D6LMNAADRB1
SCHEMBL4036513 0.83 RPS6KB1 (0.40) ABCB1ADRB2CYP2D6LMNAADRB1
SCHEMBL4044458 0.82 ADRB2 (0.39) ABCB1ADRB2CYP2D6LMNAADRB1
SCHEMBL4039140 0.80 ABCB1 (0.47) ABCB1ADRB2CYP2D6LMNAADRB1
SCHEMBL4047555 0.80 SIRT1 (0.38) ADRB2CYP2D6LMNAADRB1CYP1A2
SCHEMBL4037688 0.76 KDM4E (0.46) ADRB2ADRB1ADRB3SMN1; SMN2KDM4E
SCHEMBL4045258 0.76 NR3C2 (0.41) ADRB2ADRB1ADRB3KDM4EOPRM1
SCHEMBL4048533 0.75 MAPT (0.36) ABCB1CYP2D6CYP1A2ALDH1A1ADRA1D

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 ABCB1 333/4885ADRB2 44/4885CYP2D6 613/4885

“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.