SCHEMBL9793

SCHEMBL9793

CC(CCC(C)(C)O)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GABRR1 P24046 2/20 0.33
PIK3CD O00329 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL19480690 0.89 CA1 (0.38) ALDH1A1CA1CA2GABRR1PIK3CD
SCHEMBL13823388 0.84 CA1 (0.35) CA1CA2GABRR1ACACBACACA
SCHEMBL9063 0.84 CA1 (0.35) CA1CA2GABRR1ACACBACACA
SCHEMBL18879226 0.82 CA1 (0.33) ALDH1A1CA1CA2PIK3CDACACB
SCHEMBL1642423 0.79 GABRR1 (0.34) CA1CA2GABRR1
SCHEMBL9580 0.77 CA1 (0.39) CA1CA2GABRR1ACACBACACA
SCHEMBL14321927 0.76 PIK3CD (0.34) ALDH1A1CA1CA2GABRR1PIK3CD
SCHEMBL195635 0.74 ACACB (0.41) CA1CA2GABRR1ACACBACACA
SCHEMBL16432800 0.74 ALDH1A1 (0.36) ALDH1A1CA2PIK3CD
SCHEMBL18879301 0.74 CA1 (0.33) CA1CA2ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP ALDH1A1 1846/4885CA1 1047/4885CA2 4037/4885

“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.