SCHEMBL3020249

SCHEMBL3020249

CC(=O)OCC1CN2C=C(C)N1CC2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.33
PDK1 Q15118 1/20 0.33
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA5 P30532 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC18A3 Q16572 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
SCHEMBL3019460 0.74 PDK1 (0.35) NLRP3PDK1DPP4FAPDPP8
SCHEMBL3020879 0.74 CHRM2 (0.33)
SCHEMBL3013676 0.73 PDK1 (0.34) NLRP3PDK1SCN7ASCN5ASCN9A
SCHEMBL3012596 0.71 NLRP3 (0.33) NLRP3PDK1OPRM1OPRD1OPRK1
SCHEMBL3020784 0.68 CHRM2 (0.35)
SCHEMBL3020386 0.63 PDK1 (0.38) NLRP3PDK1CHRNB2CHRNA5CHRNA7
SCHEMBL5998823 0.62 PDK1 (0.36) NLRP3PDK1
SCHEMBL3009748 0.60 PDK1 (0.36) NLRP3PDK1
SCHEMBL24578244 0.59 CHRNB2 (0.59) CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL20869642 0.59 CHRNB2 (0.59) CHRNB2CHRNA5CHRNA7CHRNA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2010-08-12 US disclosed
EP-2197882-A2 METHOD FOR PRODUCING TEDA DERIVATIVES Basf Se (DE) 2010-06-23 EP disclosed
WO-2009030649-A2 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2009-03-12 WO 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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES TES, TRRAP, NAAA NLRP3 2931/4885PDK1 1868/4885SCN7A 4688/4885

“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.