SCHEMBL21166199

SCHEMBL21166199

COC(=O)N1CC(OC(C)(C)CC2CN(C(C)(C)C)CCO2)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
PDK1 Q15118 3/20 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
SCHEMBL21919686 0.81 EPHX2 (0.36) EPHX2
SCHEMBL23350329 0.75 EPHX2 (0.34) EPHX2
SCHEMBL21166089 0.74 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10200590 0.74 EPHX2 (0.44) EPHX2PDK1
SCHEMBL16078152 0.70 EPHX2 (0.42) EPHX2PDK1
SCHEMBL10200581 0.70 EPHX2 (0.41) EPHX2PDK1
SCHEMBL25763548 0.70 EPHX2 (0.36) EPHX2
SCHEMBL12299410 0.70 EPHX2 (0.36) EPHX2
SCHEMBL25751548 0.70 EPHX2 (0.36) EPHX2
SCHEMBL21165813 0.68 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3

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 EPHX2 4064/4885CHRNB2 504/4885CHRNA4 365/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 EPHX2 4064/4885CHRNB2 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.