SCHEMBL581990

SCHEMBL581990

COC(=O)C1CCNC(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
F10 P00742 1/20 0.39
SCN9A Q15858 1/20 0.39
PLG P00747 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
P2RY14 Q15391 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38

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
SCHEMBL581052 0.87 POLB (0.43) KMT2AKDM4ETDP1
SCHEMBL580826 0.86 PLG (0.50) PLG
SCHEMBL581932 0.86 HTR2C (0.49)
SCHEMBL581126 0.85 MAPT (0.40) CYP3A4MAPTKDM4ESCN9APLG
SCHEMBL581048 0.84 PDE2A (0.37) PLGKCNH2
SCHEMBL581121 0.84 SMN1; SMN2 (0.42) CYP3A4KMT2A
SCHEMBL580899 0.84 PLG (0.48) MAPTPLG
SCHEMBL581181 0.82 ALDH1A1 (0.42) KDM4EPLG
SCHEMBL13513805 0.81 CYP3A4 (0.38) CYP3A4MAPTMAPK1KDM4ETDP1
SCHEMBL582065 0.81 SLC6A4 (0.42) MAPTKMT2APLG

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 CYP3A4 21/4885MAPT 4513/4885MAPK1 1966/4885

“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.