SCHEMBL581435

SCHEMBL581435

COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.43
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
HCRTR2 O43614 1/20 0.33
ENPP2 Q13822 1/20 0.33
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
GSK3B P49841 2/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TACR1 P25103 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
SCHEMBL3069017 1.00 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL3076220 1.00 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL3069006 1.00 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL581825 1.00 PLG (0.43) PLGGABRA1GABRG2GABRB3HCRTR2
SCHEMBL3067839 0.92 PLG (0.39) PLGTACR1
SCHEMBL3081522 0.92 PLG (0.39) PLGTACR1
SCHEMBL586689 0.92 PLG (0.39) PLGTACR1
SCHEMBL581340 0.92 PLG (0.39) PLGTACR1
SCHEMBL581507 0.91 PLG (0.54) PLGHCRTR2
SCHEMBL582629 0.91 PLG (0.42) PLGGABRA1GABRG2GABRB3HCRTR2

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.