SCHEMBL4044690

SCHEMBL4044690

C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NC1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LAP3 P28838 2/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SSTR4 P31391 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL5620900 0.88 TDP1 (0.53) RENKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL4042454 0.87 REN (0.49) RENALDH1A1TDP1LAP3ANPEP
SCHEMBL4042589 0.86 REN (0.48) RENALDH1A1TDP1LAP3ANPEP
SCHEMBL4042402 0.77 REN (0.47) RENHSD17B10KDM4ERAB9AALDH1A1
SCHEMBL4043669 0.76 REN (0.54) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL4041807 0.75 REN (0.62) RENALDH1A1LAP3ANPEPRNPEP
SCHEMBL4041336 0.75 REN (0.56) RENRAB9ALAP3ANPEPRNPEP
SCHEMBL5619200 0.74 REN (0.53) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL15223635 0.74 CYP3A4 (0.56) KDM4ERAB9AALDH1A1TDP1SMN1; SMN2
SCHEMBL20027600 0.73 LAP3 (0.56) ALDH1A1TDP1LAP3ANPEPRNPEP

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 717/4885HSD17B10 1220/4885KDM4E 1788/4885

“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.