SCHEMBL14290751

SCHEMBL14290751

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 2/20 0.37
PDE4B Q07343 3/20 0.35
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KIF11 P52732 1/20 0.32
HSD11B1 P28845 1/20 0.32
GRM5 P41594 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 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
SCHEMBL17660643 0.85 HSD11B1 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL19686591 0.85 HSD11B1 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL19686595 0.84 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL8299600 0.81 CYP1A2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CYP1A2
SCHEMBL12448246 0.79 NR1H2 (0.49) ALDH1A1L3MBTL1USP2
SCHEMBL12449192 0.79 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL2940886 0.79 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA3
SCHEMBL21025382 0.79 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL19686899 0.79 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL10123915 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3PDE4B

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 4 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
US-8334292-B1 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
US-8334292-B1 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2012-12-18 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.