SCHEMBL586719

SCHEMBL586719

COC(=O)C1CCN(C(=O)OC)C(Cc2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.42
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MMP1 P03956 2/20 0.34
ADAM17 P78536 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL581620 0.91 TACR1 (0.35) OPRK1ALDH1A1MAPTNPSR1HPGD
SCHEMBL587405 0.89 OPRK1 (0.43) OPRK1ALDH1A1MAPTNPSR1HPGD
SCHEMBL587316 0.89 ALDH1A1 (0.47) OPRK1ALDH1A1MAPTNPSR1HPGD
SCHEMBL588023 0.85 OPRK1 (0.45) OPRK1ALDH1A1MAPTNPSR1HPGD
SCHEMBL581848 0.84 ALDH1A1 (0.39) OPRK1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL581046 0.84 ALDH1A1 (0.39) OPRK1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL587185 0.84 OPRK1 (0.42) OPRK1ALDH1A1MAPTNPSR1HPGD
SCHEMBL3069038 0.84 ALDH1A1 (0.39) OPRK1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL586767 0.83 ALDH1A1 (0.43) OPRK1ALDH1A1MAPTNPSR1HPGD
SCHEMBL586918 0.83 MAPT (0.44) OPRK1ALDH1A1MAPTHTTCYP3A4

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 164/4885ALDH1A1 2598/4885MAPT 4513/4885

“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.