SCHEMBL21166089

SCHEMBL21166089

CCC(C)(C)OC1CN(C(=O)OC)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
TSHR P16473 2/20 0.36
NR1H2 P55055 1/20 0.34
PDE4B Q07343 4/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RBP4 P02753 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
OPRK1 P41145 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
SCHEMBL21166088 0.86 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21165813 0.82 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21165975 0.79 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21166014 0.75 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21166199 0.74 EPHX2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22419964 0.74 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL19686899 0.73 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL12909937 0.71 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL12791409 0.70 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL11223839 0.70 ATM (0.42) TSHRALDH1A1TDP1

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 CHRNB2 504/4885CHRNA4 365/4885CHRNB4 542/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CHRNB2 504/4885CHRNA4 365/4885CHRNB4 542/4885

“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.