SCHEMBL4622338

SCHEMBL4622338

CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1cccc(O)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.55
BACE1 P56817 5/20 0.48
CTSD P07339 2/20 0.48
BACE2 Q9Y5Z0 2/20 0.48
CHRNA1 P02708 2/20 0.46
CHRNG P07510 2/20 0.46
CHRNB1 P11230 2/20 0.46
CHRND Q07001 2/20 0.46

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
SCHEMBL4622334 1.00 REN (0.55) RENBACE1CTSDBACE2CHRNA1
SCHEMBL4038384 0.96 REN (0.62) REN
SCHEMBL4622204 0.95 BACE1 (0.50) RENBACE1CTSDBACE2
SCHEMBL4622201 0.95 BACE1 (0.50) RENBACE1CTSDBACE2
SCHEMBL4044533 0.88 REN (0.60) RENBACE1CTSDBACE2
SCHEMBL4044535 0.88 REN (0.60) RENBACE1CTSDBACE2
SCHEMBL4623288 0.85 REN (0.51) RENBACE1CTSDBACE2
SCHEMBL4622315 0.85 REN (0.51) RENBACE1CTSDBACE2
SCHEMBL4622308 0.85 REN (0.51) RENBACE1CTSDBACE2
SCHEMBL4622135 0.84 REN (0.55) RENBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
US-20080070885-A1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2008-03-20 US disclosed
EP-1654241-B1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2008-03-19 EP disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
US-20060223745-A1 Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof BETSCHART CLAUDIA 2006-10-05 US disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20060223745-A1 Macrocyclic compounds having aspartic protease inhibiting activity and pharmaceutical uses thereof BACE1, APP, ACE REN 54/4885BACE1 1/4885CTSD 103/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP REN 116/4885BACE1 1/4885CTSD 14/4885
US-20080070885-A1 MACROCYCLIC COMPOUNDS HAVING ASPARTIC PROTEASE INHIBITING ACTIVITY AND PHARMACEUTICAL USES THEREOF BACE1, APP, BACE2 REN 68/4885BACE1 1/4885CTSD 90/4885

“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.