SCHEMBL582310

SCHEMBL582310

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.48
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
BACE1 P56817 3/20 0.34
CTSD P07339 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.30

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
SCHEMBL3082358 0.86 PLG (0.47) PLGGABRA1GABRG2GABRB3BACE1
SCHEMBL581853 0.86 PLG (0.47) PLGGABRA1GABRG2GABRB3BACE1
SCHEMBL3078289 0.86 PLG (0.47) PLGGABRA1GABRG2GABRB3BACE1
SCHEMBL587508 0.86 PLG (0.47) PLGGABRA1GABRG2GABRB3BACE1
SCHEMBL27853038 0.83 PLG (0.45) PLGGABRA1GABRG2GABRB3
SCHEMBL3717177 0.81 PLG (0.58) PLGGABRA1GABRG2GABRB3
SCHEMBL580917 0.81 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581554 0.80 PLG (0.56) PLGGABRA1GABRG2GABRB3
SCHEMBL581879 0.78 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL581632 0.77 PLG (0.49) PLGGABRA1GABRG2GABRB3

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 PLG 4861/4885GABRA1 237/4885GABRG2 435/4885

“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.