SCHEMBL6760458

SCHEMBL6760458

CC(=O)N(C(C)C)N1CC2CCC(C1)N2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.39
CHRNA4 P43681 13/20 0.39
CHRNA3 P32297 11/20 0.39
CHRNB3 Q05901 11/20 0.39
CHRNA6 Q15825 11/20 0.39
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.30
CHRNA7 P36544 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
SCHEMBL6618922 0.68 CHRM5 (0.37) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL745221 0.66 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12356574 0.66 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL20795047 0.66 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6952194 0.66 KDM4E (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL745115 0.65 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1902519 0.65 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1489507 0.64 CHRM2 (0.30)
SCHEMBL24732011 0.61 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL7772376 0.61 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023971-A1 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2004-02-05 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 (1 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-20040023971-A1 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias KCNH1, KCNH2, RYR2 CHRNB2 408/4885CHRNA4 946/4885CHRNA3 349/4885

“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.