SCHEMBL9063

SCHEMBL9063

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GABRR1 P24046 2/20 0.34
RIPK1 Q13546 2/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 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
SCHEMBL13823388 1.00 CA1 (0.35) CA1CA2GABRR1RIPK1ACACB
SCHEMBL9580 0.88 CA1 (0.39) CA1CA2GABRR1ACACBACACA
SCHEMBL195635 0.85 ACACB (0.41) CA1CA2GABRR1ACACBACACA
SCHEMBL9793 0.84 ALDH1A1 (0.39) CA1CA2GABRR1ACACBACACA
SCHEMBL30630599 0.83 ACACB (0.44) CA1CA2GABRR1ACACBACACA
SCHEMBL1642423 0.81 GABRR1 (0.34) CA1CA2GABRR1GABRPGABRD
SCHEMBL18879301 0.80 CA1 (0.33) CA1CA2ACACBACACA
SCHEMBL27286922 0.78 GABRR1 (0.52) GABRR1RIPK1ACACBACACAGRN
SCHEMBL3753790 0.78 GABRR1 (0.52) GABRR1RIPK1ACACBACACAGRN
SCHEMBL27610140 0.78 CA1 (0.37) CA1CA2RIPK1GRNSORT1

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
EP-3733683-A1 NUCLEOSIDE ANALOGUE, PREPARATION METHOD AND APPLICATION GeneMind Biosciences Company Limited (CN) 2020-11-04 EP disclosed
WO-2020110009-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2020-06-04 WO disclosed
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 CA1 1047/4885CA2 4037/4885GABRR1 230/4885

“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.