SCHEMBL4043497

SCHEMBL4043497

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

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.65
LAP3 P28838 3/20 0.53
ANPEP P15144 1/20 0.53
RNPEP Q9H4A4 1/20 0.53
DNPEP Q9ULA0 1/20 0.53
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50

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 0.88 REN (0.58) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL3534809 0.84 REN (0.85) REN
SCHEMBL3534806 0.84 REN (0.85) REN
SCHEMBL4041807 0.84 REN (0.62) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL4043571 0.83 REN (0.63) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL5620574 0.82 BACE1 (0.55) REN
SCHEMBL5620577 0.82 BACE1 (0.55) REN
SCHEMBL4041336 0.79 REN (0.56) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL5619200 0.78 REN (0.53) RENLAP3ANPEPRNPEPDNPEP
SCHEMBL8784488 0.77 REN (1.00) REN

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160905-B2 Hydroxyethylene compounds with Asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US claimed
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-02-17 US claimed
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
US-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-21 US 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 (3 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-20050085520-A1 Benzamide derivatives, processes for their preparation, and their pharmaceutical use BACE2, PSEN2, BACE1 REN 2404/4885LAP3 515/4885ANPEP 33/4885
US-20050038028-A1 Hydroxyethylene compounds with asp2 inhibitory activity BACE2, BACE1, PSEN2 REN 1933/4885LAP3 898/4885ANPEP 99/4885
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.