SCHEMBL924407

SCHEMBL924407

O=C(O)c1cc(N2CCCC2=O)c(=O)n(C2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
CYP2C9 P11712 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HCAR3 P49019 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL924493 0.90 BACE1 (0.44) BACE1CYP2C9CYP3A4ALDH1A1HPGD
SCHEMBL925096 0.82 KDM4E (0.41) BACE1CYP2C9ALDH1A1HPGDCYP1A2
SCHEMBL4970599 0.77 BACE1 (0.35) BACE1CYP2C9CYP3A4
SCHEMBL926212 0.75 HSD17B10 (0.43) CYP2C9ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL924396 0.73 LMNA (0.39) ALDH1A1HPGDGAAHSD17B10HCAR3
SCHEMBL925194 0.71 HSD17B10 (0.40) ALDH1A1HPGDTP53GAAHSD17B10
SCHEMBL924196 0.71 ALDH1A1 (0.54) ALDH1A1HPGDGAAHSD17B10MEN1
SCHEMBL924275 0.71 GAA (0.40) ALDH1A1HPGDSMN1; SMN2GAAHSD17B10
SCHEMBL5217707 0.71 ALDH1A1 (0.54) CYP2C9CYP3A4ALDH1A1HPGDCYP1A2
SCHEMBL923798 0.69 HSD17B10 (0.39) ALDH1A1HPGDGAAHSD17B10HCAR3

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
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885CYP2C9 3151/4885CYP3A4 2199/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP BACE1 1/4885CYP2C9 3151/4885CYP3A4 2199/4885

“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.