SCHEMBL586973

SCHEMBL586973

COC(=O)C1CCN(C(=O)OC)C(c2cc(F)c(Cl)c(F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
CHRNA1 P02708 2/20 0.34

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
SCHEMBL586626 0.96 OPRK1 (0.37) OPRK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL580874 0.91 CHRNB4 (0.35) OPRK1CHRNB4CHRNA3
SCHEMBL587299 0.90 DPP4 (0.36) OPRK1MEN1KMT2AMAPTTDP1
SCHEMBL586604 0.87 OPRK1 (0.43) OPRK1CHRNB4CHRNA3SLC6A2SLC6A4
SCHEMBL3079872 0.86 OPRK1 (0.41) OPRK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL587629 0.86 ALDH1A1 (0.34) OPRK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL581842 0.86 MAPT (0.39) OPRK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL586638 0.86 DPP4 (0.39) OPRK1DPP4DPP8DPP9DPP7
SCHEMBL581133 0.83 KDM4E (0.37) LMNASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL581760 0.83 KDM4E (0.37) LMNASMN1; SMN2MEN1KMT2ATDP1

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-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 OPRK1 164/4885LMNA 3853/4885SMN1; SMN2 2619/4885

“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.