SCHEMBL21165813

SCHEMBL21165813

COC(=O)N1CC(OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
TSHR P16473 1/20 0.41
NR1H2 P55055 2/20 0.38
PDE4B Q07343 4/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ATM Q13315 1/20 0.32
NAMPT P43490 1/20 0.32
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL21166070 0.85 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL20111131 0.84 NR1H2 (0.53) NR1H2NAMPTEPHX1SMN1; SMN2USP2
SCHEMBL21166088 0.82 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21166089 0.82 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL11998894 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3NR1H2
SCHEMBL2937689 0.79 ATM (0.34) NR1H2ATM
SCHEMBL19686899 0.79 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL17664667 0.78 POLB (0.45) NR1H2PDE4BATMSMN1; SMN2
SCHEMBL20026858 0.78 ATM (0.41) NR1H2ATM
SCHEMBL21165814 0.78 NAMPT (0.34) NR1H2ATMNAMPT

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.