SCHEMBL3244388

SCHEMBL3244388

C=COCCCC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
EPHX1 P07099 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.33
NAAA Q02083 1/20 0.33
FKBP1A P62942 3/20 0.31
NFE2L2 Q16236 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
SCHEMBL683416 0.84 NFE2L2 (0.39) CYP1A2SIGMAR1EPHX1HPGDNFE2L2
SCHEMBL18183827 0.80 CYP1A2 (0.31) CYP1A2
SCHEMBL15227499 0.78 NFE2L2 (0.31) NFE2L2
SCHEMBL3025958 0.78 CYP1A2 (0.41) CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2
SCHEMBL5543638 0.77 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2
SCHEMBL3258085 0.77 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2
SCHEMBL5541873 0.77 CYP1A2 (0.45) CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2
SCHEMBL7048958 0.77
SCHEMBL13619710 0.77
SCHEMBL14739553 0.76 CYP1A2 (0.52) CYP1A2SIGMAR1EPHX1HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US 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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP CYP1A2 198/4885SIGMAR1 2324/4885EPHX1 209/4885

“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.