SCHEMBL9680

SCHEMBL9680

CC1(C)CCCC(CCC(N)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.39
GAA P10253 1/20 0.38
ARG2 P78540 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX5 P09917 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
HSD11B1 P28845 2/20 0.30
TARDBP Q13148 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
SCHEMBL27928439 0.86 GAA (0.40) ARG1GAAARG2HPGDALDH1A1
SCHEMBL21596598 0.76 ARG1 (0.33) ARG1
SCHEMBL832963 0.76 ARG1 (0.33) ARG1
SCHEMBL17824293 0.76 ARG1 (0.33) ARG1
SCHEMBL930589 0.75
SCHEMBL930717 0.75 HPGD (0.50) GAAHPGDALDH1A1ALOX5KMT2A
SCHEMBL1301378 0.74 CYP1A2 (0.34) ARG1GAACYP1A2
Acetic Acid SCHEMBL5046791 0.74 CYP2D6 (0.39) ARG1ARG2CYP1A2
SCHEMBL6944623 0.74 CYP1A2 (0.37) ARG1ALDH1A1CYP1A2KMT2AMEN1
SCHEMBL756557 0.73 ARG1 (0.34) ARG1GAAALDH1A1

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 ARG1 1186/4885GAA 326/4885ARG2 1660/4885

“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.