SCHEMBL9192

SCHEMBL9192

CC(C)C(=O)NC1CCOC2(CCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
ALDH1A1 P00352 2/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 1/20 0.31
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EPHX1 P07099 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
SCHEMBL9019 0.80 TP53 (0.45) BACE1MTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL31071537 0.76 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL18347919 0.72 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL20322171 0.72 POLB (0.33) TSHRMTNR1AMTNR1BARG1ARG2
SCHEMBL1911527 0.71 FPR2 (0.40) NPSR1HPGDTSHRMTNR1AMTNR1B
SCHEMBL21238753 0.70 TRPA1 (0.35) NPSR1HPGDTSHRMTNR1AMTNR1B
SCHEMBL21258487 0.70 TRPA1 (0.35) NPSR1HPGDTSHRMTNR1AMTNR1B
SCHEMBL21285227 0.70 TRPA1 (0.35) NPSR1HPGDTSHRMTNR1AMTNR1B
SCHEMBL22519366 0.70 ARG1 (0.40) MTNR1AMTNR1BARG1ARG2SMN1; SMN2
SCHEMBL23866556 0.69 SSTR4 (0.39) MTNR1AMTNR1BEPHX2EPHX1

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 BACE1 1/4885NPSR1 1622/4885HPGD 3002/4885

“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.