SCHEMBL587545

SCHEMBL587545

COC(=O)C1CCN(C(=O)OC)C(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TACR1 P25103 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CETP P11597 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL587434 0.96 OPRK1 (0.39) OPRK1ALDH1A1MAPTHPGDNPSR1
SCHEMBL581245 0.91 TACR1 (0.38) OPRK1ALDH1A1MAPTHPGDNPSR1
SCHEMBL581269 0.84 MEN1 (0.36) ALDH1A1MAPTTACR1SMN1; SMN2HTT
SCHEMBL3087575 0.84 MEN1 (0.36) ALDH1A1MAPTTACR1SMN1; SMN2HTT
SCHEMBL581268 0.84 MEN1 (0.36) ALDH1A1MAPTTACR1SMN1; SMN2HTT
SCHEMBL586918 0.84 MAPT (0.44) OPRK1ALDH1A1MAPTTACR1HTT
SCHEMBL587405 0.84 OPRK1 (0.43) OPRK1ALDH1A1MAPTHPGDNPSR1
SCHEMBL586719 0.83 OPRK1 (0.42) OPRK1ALDH1A1MAPTHPGDNPSR1
SCHEMBL586714 0.82 TACR1 (0.46) OPRK1ALDH1A1MAPTHPGDNPSR1
SCHEMBL586823 0.81 TACR1 (0.44) 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 164/4885ALDH1A1 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.