SCHEMBL2028296

SCHEMBL2028296

CC(C)(C)CN(C(=O)O)[C@@H](CC1CCOCC1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
CTSD P07339 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FFAR2 O15552 1/20 0.31
PIK3CD O00329 1/20 0.30
GCK P35557 1/20 0.30

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
SCHEMBL3643875 1.00 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1567595 0.81 PIK3CD (0.30) PIK3CD
SCHEMBL2028295 0.73 PIK3CD (0.33) CTSDCNR1CNR2FFAR2PIK3CD
SCHEMBL7998383 0.72 CTSD (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9104760 0.69 ANPEP (0.33)
SCHEMBL18916814 0.69 ANPEP (0.33)
SCHEMBL18091212 0.69 ANPEP (0.33)
SCHEMBL14321919 0.68 CTSD (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2024332 0.67 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12861216 0.65 PIK3CD (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP PSEN1 416/4885PSEN2 478/4885APH1B 919/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 PSEN1 752/4885PSEN2 1182/4885APH1B 616/4885

“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.