SCHEMBL3237397

SCHEMBL3237397

CC(C)(C)OC(=O)N1CCOC(CCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.52
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
USP30 Q70CQ3 2/20 0.47
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
STS P08842 1/20 0.45

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
SCHEMBL4476703 0.88 JAK2 (0.49) JAK2JAK1USP30GAATHRB
SCHEMBL969537 0.84 JAK2 (0.46) JAK2JAK1USP30GAATHRB
SCHEMBL306377 0.84 JAK2 (0.46) JAK2JAK1USP30GAATHRB
SCHEMBL306376 0.84 JAK2 (0.46) JAK2JAK1USP30GAATHRB
SCHEMBL24996133 0.83 MEN1 (0.47) JAK2JAK1USP30GAATHRB
SCHEMBL30922971 0.83 MEN1 (0.47) JAK2JAK1USP30GAATHRB
SCHEMBL8702864 0.82 NR1H4 (0.49) DRD4JAK2JAK1GAATHRB
SCHEMBL8702860 0.82 NR1H4 (0.49) DRD4JAK2JAK1GAATHRB
SCHEMBL28505326 0.82 ABCB1 (0.46) SMN1; SMN2GPR119
SCHEMBL28512955 0.82 ABCB1 (0.46) SMN1; SMN2GPR119

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 DRD4 3423/4885DRD2 3320/4885DRD3 2778/4885

“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.