SCHEMBL21165825

SCHEMBL21165825

CC(C)OC1CN(C(=O)C(C)(C)CCOC(=O)N2CC(OC(C)S)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL21165833 0.80 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL21165842 0.70 TACR1 (0.36)
SCHEMBL12448246 0.68 NR1H2 (0.49)
SCHEMBL21165827 0.66 ESR1 (0.33)
SCHEMBL19686595 0.66 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL14290751 0.66 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL2940886 0.62 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL12449192 0.62 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL12449191 0.61 SCN9A (0.33) CHRNB2CHRNA4
SCHEMBL21165823 0.61 CHRNB2 (0.48) CHRNB2CHRNA4

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 365/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CHRNB2 504/4885CHRNA4 365/4885

“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.