SCHEMBL3196456

SCHEMBL3196456

CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
CTSD P07339 7/20 1.00
BACE2 Q9Y5Z0 3/20 0.43
CTSE P14091 1/20 0.42

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
SCHEMBL3196431 1.00 BACE1 (1.00) BACE1CTSDBACE2CTSE
SCHEMBL25916091 1.00 BACE1 (1.00) BACE1CTSDBACE2CTSE
SCHEMBL3194678 0.96 BACE1 (0.92) BACE1CTSDBACE2CTSE
SCHEMBL3197231 0.92 BACE1 (0.86) BACE1CTSDBACE2CTSE
SCHEMBL3185008 0.90 BACE1 (0.82) BACE1CTSDBACE2CTSE
SCHEMBL3187910 0.89 BACE1 (0.80) BACE1CTSDBACE2CTSE
SCHEMBL3192386 0.89 BACE1 (0.80) BACE1CTSDBACE2CTSE
SCHEMBL3193104 0.89 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL3191397 0.88 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL2351687 0.86 BACE1 (0.76) BACE1CTSDBACE2CTSE

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-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 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 (2 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 BACE1 406/4885CTSD 789/4885BACE2 1071/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 BACE1 406/4885CTSD 789/4885BACE2 1071/4885

“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.