SCHEMBL9103738

SCHEMBL9103738

CNC(CN1CCC(OC)CC1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
KCNH2 Q12809 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 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
SCHEMBL9103724 1.00 HRH3 (0.33) HRH3KCNH2KCNQ3KCNQ2CARM1
SCHEMBL19982037 0.80 CARM1 (0.46) HRH3CARM1PRMT6
SCHEMBL25086279 0.78 HRH3 (0.36) HRH3KCNH2KCNQ3KCNQ2
SCHEMBL6923874 0.77 HRH3 (0.47) HRH3KCNH2KCNQ3KCNQ2
SCHEMBL9102712 0.75 MEN1 (0.34) CARM1PRMT6
SCHEMBL9103884 0.75 MEN1 (0.39) HRH3KCNH2CARM1PRMT6
SCHEMBL9102728 0.75 MEN1 (0.34) CARM1PRMT6
SCHEMBL9103896 0.75 MEN1 (0.39) HRH3KCNH2CARM1PRMT6
SCHEMBL19981629 0.75 KCNH2 (0.36) HRH3KCNH2
SCHEMBL13817495 0.75 MEN1 (0.36) HRH3

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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885KCNH2 1/4885KCNQ3 17/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885KCNH2 1/4885KCNQ3 17/4885

“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.