SCHEMBL21166014

SCHEMBL21166014

CCCCCC(C)(CCCC)OC1CN(C(=O)OC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.30
ZDHHC7 Q9NXF8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
ACAT1 P24752 1/20 0.30
SOAT1 P35610 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL22419964 0.99 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL21165975 0.91 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL21166088 0.82 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL23100381 0.76 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL21166089 0.75 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL21165813 0.74 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL20106620 0.74 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CA1
SCHEMBL19184807 0.73 GNAI3 (0.39) MAPTKDM4EALOX15MEN1KMT2A
SCHEMBL24814981 0.70 KCNQ3 (0.33) CA1CA2MAPTMEN1KMT2A
SCHEMBL19184997 0.70 EPHX2 (0.37) MAPTKDM4EALOX15MEN1KMT2A

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.