SCHEMBL587882

SCHEMBL587882

O=C(O)C1CCN(C(=O)O)C(COC2CCCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.36
SLC6A1 P30531 2/20 0.34
NPC1 O15118 1/20 0.33
S1PR5 Q9H228 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL582094 0.87 HCRTR2 (0.38) HCRTR2
SCHEMBL586648 0.82 SMN1; SMN2 (0.39) HCRTR2
SCHEMBL586999 0.82 OPRK1 (0.35) HCRTR2
SCHEMBL586949 0.78 SMN1; SMN2 (0.36)
SCHEMBL13094499 0.76 SMN1; SMN2 (0.43) HCRTR2
SCHEMBL11155986 0.73 NEK2 (0.36) NPC1S1PR5
SCHEMBL581000 0.72 POLB (0.36) NPC1
SCHEMBL581200 0.70 HCRTR2 (0.36) HCRTR2
SCHEMBL29990958 0.70 POLB (0.37) HCRTR2
SCHEMBL3830067 0.68 F2 (0.41) HCRTR2

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 HCRTR2 30/4885SLC6A1 464/4885NPC1 497/4885

“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.