SCHEMBL581372

SCHEMBL581372

COC(=O)N1CCC(CO)CC1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NR1H2 P55055 1/20 0.33
ENPP2 Q13822 1/20 0.33
BRD4 O60885 1/20 0.33
DPP4 P27487 1/20 0.31
ALOX5 P09917 1/20 0.31
CHRM3 P20309 2/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL13391118 0.83 NR1H2 (0.50) NR1H2CHRM3
SCHEMBL26537949 0.83 NR1H2 (0.50) NR1H2CHRM3
SCHEMBL29102602 0.81 POLB (0.32) DPP4POLBL3MBTL1
SCHEMBL29102603 0.81 POLB (0.32) DPP4POLBL3MBTL1
SCHEMBL25708816 0.81 POLB (0.32) CHRM3POLBL3MBTL1
SCHEMBL30621175 0.79 GBA2 (0.44) TSHRENPP2DPP4POLBL3MBTL1
SCHEMBL26953125 0.78
SCHEMBL1631699 0.78
SCHEMBL7803688 0.77 TSHR (0.52) TSHRENPP2CHRM3CHRNB4CHRNA3
SCHEMBL7803687 0.77 TSHR (0.52) TSHRENPP2CHRM3CHRNB4CHRNA3

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 TSHR 92/4885NR1H2 50/4885ENPP2 3567/4885

“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.