SCHEMBL4041807

SCHEMBL4041807

C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.62
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MME P08473 1/20 0.52
LAP3 P28838 2/20 0.52
ANPEP P15144 1/20 0.52
RNPEP Q9H4A4 1/20 0.52
DNPEP Q9ULA0 1/20 0.52
BACE1 P56817 3/20 0.52
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP8 P22894 1/20 0.49

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
SCHEMBL4041710 0.86 REN (0.58) RENCYP3A4LAP3ANPEPRNPEP
SCHEMBL4342651 0.86 TSHR (0.72) RENCYP3A4ALDH1A1TSHRCYP1A2
SCHEMBL3534806 0.85 REN (0.85) REN
SCHEMBL3534809 0.85 REN (0.85) REN
SCHEMBL4041336 0.84 REN (0.56) RENMMELAP3ANPEPRNPEP
SCHEMBL4043497 0.84 REN (0.65) RENCYP3A4LAP3ANPEPRNPEP
SCHEMBL4043571 0.84 REN (0.63) RENCYP3A4LAP3ANPEPRNPEP
SCHEMBL5619200 0.83 REN (0.53) RENMMELAP3ANPEPRNPEP
SCHEMBL4043669 0.82 REN (0.54) RENCYP3A4LAP3ANPEPRNPEP
SCHEMBL14866930 0.81 CYP3A4 (0.82) CYP3A4ALDH1A1MMETSHRCYP1A2

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 REN 717/4885CYP3A4 646/4885ALDH1A1 2036/4885

“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.