SCHEMBL4042454

SCHEMBL4042454

C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NC1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.49
LAP3 P28838 3/20 0.43
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.41
MFN2 O95140 1/20 0.40
XIAP P98170 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 0.90 TDP1 (0.53) RENSMN1; SMN2TDP1ALDH1A1
SCHEMBL4042589 0.88 REN (0.48) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL4044690 0.87 REN (0.47) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL4042402 0.79 REN (0.47) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL15223635 0.79 CYP3A4 (0.56) SMN1; SMN2TDP1ALDH1A1
SCHEMBL20027600 0.78 LAP3 (0.56) LAP3ANPEPRNPEPDNPEPSMN1; SMN2
SCHEMBL21554929 0.78 LAP3 (0.56) LAP3ANPEPRNPEPDNPEPSMN1; SMN2
SCHEMBL10085519 0.78 LAP3 (0.56) LAP3ANPEPRNPEPDNPEPSMN1; SMN2
SCHEMBL4043669 0.77 REN (0.54) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL4041336 0.77 REN (0.56) RENLAP3ANPEPRNPEPDNPEP

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 717/4885LAP3 3498/4885ANPEP 1378/4885

“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.