SCHEMBL587185

SCHEMBL587185

COC(=O)C1CCN(C(=O)OC)C(Cc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.42
EPHX2 P34913 6/20 0.39
TACR1 P25103 3/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KCNN4 O15554 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HSD11B1 P28845 1/20 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
SCHEMBL581759 0.92 NOTUM (0.40) OPRK1EPHX2TACR1
SCHEMBL587316 0.89 ALDH1A1 (0.47) OPRK1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL582479 0.86 EPHX2 (0.43) OPRK1EPHX2TACR1ALDH1A1KCNH2
SCHEMBL581386 0.86 EPHX2 (0.43) OPRK1EPHX2TACR1ALDH1A1KCNH2
SCHEMBL581385 0.86 EPHX2 (0.43) OPRK1EPHX2TACR1ALDH1A1KCNH2
SCHEMBL586823 0.84 TACR1 (0.44) OPRK1TACR1ALDH1A1MAPTHTT
SCHEMBL586719 0.84 OPRK1 (0.42) OPRK1TACR1ALDH1A1MAPTHTT
SCHEMBL588023 0.83 OPRK1 (0.45) OPRK1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL586714 0.83 TACR1 (0.46) OPRK1TACR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL586767 0.81 ALDH1A1 (0.43) OPRK1ALDH1A1MAPTHPGDNPSR1

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 OPRK1 164/4885EPHX2 3080/4885TACR1 474/4885

“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.