SCHEMBL3073226

SCHEMBL3073226

[2H]c1c([2H])c([2H])c(CC2CC(C(=O)OC)CCN2)c([2H])c1[2H]

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
PLG P00747 3/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRK1 P41145 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
SCHEMBL580899 0.82 PLG (0.48) PLGALDH1A1MAPTHPGDNPSR1
SCHEMBL580821 0.81 PLG (0.38) PLG
SCHEMBL580826 0.80 PLG (0.50) PLG
SCHEMBL581121 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AOPRK1
SCHEMBL582203 0.79 LMNA (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL581112 0.79 HTR2A (0.36) PLGMEN1KMT2A
SCHEMBL581181 0.78 ALDH1A1 (0.42) PLGALDH1A1SMN1; SMN2
SCHEMBL581990 0.77 CYP3A4 (0.43) PLGKMT2AMAPT
SCHEMBL582065 0.77 SLC6A4 (0.42) PLGALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL581503 0.77 PLG (0.53) PLGKMT2A

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 2 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
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 CHRNB2 1064/4885CHRNA4 55/4885CHRNB4 158/4885

“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.