SCHEMBL4039356

SCHEMBL4039356

N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BCHE P06276 3/20 0.48
FFAR1 O14842 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSD P07339 3/20 0.46
F2 P00734 1/20 0.46
BACE1 P56817 3/20 0.45
ROCK1 Q13464 1/20 0.45
GNA15 P30679 1/20 0.44
PTGER3 P43115 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4214871 0.89 BCHE (0.61) BCHEMEN1KMT2ACTSDBACE1
SCHEMBL165644 0.89 BCHE (0.61) BCHEMEN1KMT2ACTSDBACE1
Hydrochloric Acid SCHEMBL5348922 0.88 BCHE (0.60) BCHEMEN1KMT2ACTSDBACE1
Hydrochloric Acid SCHEMBL6110582 0.88 BCHE (0.60) BCHEMEN1KMT2ACTSDBACE1
SCHEMBL165513 0.85 BACE1 (0.53) BCHECTSDBACE1
SCHEMBL3353939 0.83 BCHE (0.61) ALDH1A1BCHEMEN1KMT2AF2
SCHEMBL496172 0.83 BCHE (0.61) ALDH1A1BCHEMEN1KMT2AF2
SCHEMBL7951036 0.83 BCHE (0.61) ALDH1A1BCHEMEN1KMT2AF2
SCHEMBL2605624 0.83 BCHE (0.61) ALDH1A1BCHEMEN1KMT2AF2
SCHEMBL3357197 0.83 FNTA (0.49) ALDH1A1BCHEMEN1KMT2AF2

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 3 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

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 KDM4E 1788/4885ALDH1A1 2036/4885HTT 422/4885

“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.