SCHEMBL4048533

SCHEMBL4048533

NC(=O)c1ccccc1CCN(Cc1ccccc1)C[C@H](O)[CH]Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
ABCB1 P08183 4/20 0.34
TSHR P16473 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL4042698 1.00 MAPT (0.36) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL10621476 0.83 L3MBTL1 (0.46) MAPTALDH1A1KMT2ASCN1ASCN2A
SCHEMBL4044662 0.75 ABCB1 (0.39) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4049170 0.74 MPO (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4038893 0.73 SLC6A5 (0.39) ALDH1A1CYP1A2CYP2D6CYP2C19NPSR1
SCHEMBL4062969 0.71 ADRA1D (0.36) ALDH1A1CYP1A2KMT2AL3MBTL1SIRT2
SCHEMBL4853125 0.71 HDAC3 (0.41) MAPTALDH1A1KMT2AHDAC3HDAC1
SCHEMBL542238 0.69 SCN1A (0.51) MAPTALDH1A1CYP1A2CYP2D6KMT2A
SCHEMBL940131 0.68 ALDH1A1 (0.60) MAPTALDH1A1KMT2ASCN1ASCN2A
SCHEMBL15775879 0.68 MMP8 (0.41) L3MBTL1SIRT2ADRA1D

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 MAPT 69/4885ALDH1A1 2036/4885CYP1A2 555/4885

“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.