SCHEMBL9103528

SCHEMBL9103528

CCN[C@H](CN1CCCC1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
CHRM2 P08172 2/20 0.32
ADRA2B P18089 2/20 0.32
DRD3 P35462 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
LTA4H P09960 1/20 0.32
CYP2D6 P10635 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRD1 P41143 1/20 0.32
KCNH2 Q12809 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
UGCG Q16739 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL9103536 1.00 MEN1 (0.37) MEN1KMT2AMAPTATMCHRM2
SCHEMBL9100739 0.96 MEN1 (0.32) MEN1KMT2AMAPTATM
SCHEMBL9100728 0.96 MEN1 (0.32) MEN1KMT2AMAPTATM
SCHEMBL9511303 0.78 MEN1 (0.39) MEN1KMT2AMAPTATMCHRM2
SCHEMBL9511295 0.78 MEN1 (0.39) MEN1KMT2AMAPTATMCHRM2
SCHEMBL9103884 0.78 MEN1 (0.39) MEN1KMT2AMAPTATMCHRM2
SCHEMBL9103896 0.78 MEN1 (0.39) MEN1KMT2AMAPTATMCHRM2
SCHEMBL9103843 0.77 TDP1 (0.41) MEN1KMT2AMAPTATMHRH3
SCHEMBL9103853 0.77 TDP1 (0.41) MEN1KMT2AMAPTATMHRH3
SCHEMBL13817508 0.77 MEN1 (0.43) MEN1KMT2AMAPTATMCHRM2

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 5 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
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 US disclosed
EP-0254545-B1 DIAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-06 EP disclosed
EP-0254545-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 EP 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 MEN1 482/4885KMT2A 552/4885MAPT 4249/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 MEN1 482/4885KMT2A 552/4885MAPT 4249/4885

“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.