SCHEMBL3239798

SCHEMBL3239798

CC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.44
PARP1 P09874 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
ABCB1 P08183 1/20 0.36
PRMT5 O14744 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
FKBP1A P62942 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
ACKR3 P25106 1/20 0.35
KLK5 Q9Y337 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
SCHEMBL3239801 1.00 KLK7 (0.44) KLK7PARP1OPRM1OPRD1OPRK1
SCHEMBL17013361 0.83 KLK7 (0.44) KLK7PARP1OPRM1OPRD1OPRK1
SCHEMBL2597809 0.83 KLK7 (0.42) KLK7PARP1OPRM1OPRD1OPRK1
SCHEMBL28549464 0.81 PARP1 (0.46) KLK7PARP1OPRM1OPRD1OPRK1
SCHEMBL3234372 0.80 NR1H2 (0.39) NR1H2KMT2ASMN1; SMN2MEN1
SCHEMBL3234376 0.80 NR1H2 (0.39) NR1H2KMT2ASMN1; SMN2MEN1
SCHEMBL3241813 0.78 KLK7 (0.44) KLK7PARP1OPRM1OPRD1OPRK1
SCHEMBL3239049 0.78 KLK7 (0.41) KLK7KMT2AL3MBTL1GAATHRB
SCHEMBL3239059 0.78 KLK7 (0.41) KLK7KMT2AL3MBTL1GAATHRB
SCHEMBL3239051 0.78 KLK7 (0.41) KLK7KMT2AL3MBTL1GAATHRB

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-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
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP 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
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 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-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP KLK7 1466/4885PARP1 789/4885OPRM1 677/4885

“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.