SCHEMBL8403603

SCHEMBL8403603

CNC(=O)OCCOCCOCCOC(=O)NC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CHRM5 P08912 1/20 0.58
CYP2D6 P10635 1/20 0.58
CHRM1 P11229 1/20 0.58
NFKB1 P19838 1/20 0.58
CHRM3 P20309 1/20 0.58
MAPK1 P28482 1/20 0.58
CHRNA7 P36544 1/20 0.58
LMNA P02545 1/20 0.56
APEX1 P27695 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX1 P07099 1/20 0.56
ACHE P22303 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41

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
SCHEMBL10815020 1.00 CHRNB2 (0.58) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL16541245 0.92 CHRNB2 (0.65) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL14340134 0.91 TSHR (0.56) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL21069231 0.91 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL5244516 0.91 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL24452809 0.91 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL9587596 0.91 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL21458805 0.91 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL24318705 0.91 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL5250584 0.91 CHRNB2 (0.50) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 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-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 CHRNB2 4718/4885CHRNA4 4783/4885CHRM2 4417/4885

“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.