SCHEMBL4042459

SCHEMBL4042459

C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BACE1 P56817 5/20 0.46
AAK1 Q2M2I8 1/20 0.45
AKT1 P31749 1/20 0.45
LAP3 P28838 2/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4041336 0.91 REN (0.56) RENMEN1NPC1RAB9AKMT2A
SCHEMBL4047826 0.87 PKM (0.55) RENMEN1NPC1RAB9AKMT2A
SCHEMBL4039777 0.82 REN (0.52) RENALDH1A1LMNASMN1; SMN2LAP3
SCHEMBL4041807 0.79 REN (0.62) RENKMT2AALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4044758 0.78 REN (0.48) RENMEN1NPC1RAB9AKMT2A
SCHEMBL9590958 0.78 AKT1 (0.66) LMNAHTTSMN1; SMN2BACE1AAK1
SCHEMBL5619200 0.78 REN (0.53) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL4040270 0.77 NPSR1 (0.48) RENMEN1NPC1RAB9AKMT2A
SCHEMBL4041960 0.77 CCNA2 (0.47) RENMEN1NPC1RAB9AKMT2A
SCHEMBL4342651 0.76 TSHR (0.72) RENALDH1A1CYP3A4SMN1; SMN2POLB

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 717/4885MEN1 2564/4885NPC1 2781/4885

“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.