SCHEMBL9103843

SCHEMBL9103843

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
SLC6A4 P31645 1/20 0.30
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 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
SCHEMBL9103853 1.00 TDP1 (0.41) TDP1ALDH1A1HRH3MEN1KMT2A
SCHEMBL9103528 0.77 MEN1 (0.37) ALDH1A1HRH3MEN1KMT2ACARM1
SCHEMBL9103536 0.77 MEN1 (0.37) ALDH1A1HRH3MEN1KMT2ACARM1
SCHEMBL9100728 0.73 MEN1 (0.32) MEN1KMT2AMAPTATM
SCHEMBL9100739 0.73 MEN1 (0.32) MEN1KMT2AMAPTATM
SCHEMBL9511295 0.72 MEN1 (0.39) TDP1ALDH1A1HRH3MEN1KMT2A
SCHEMBL9511303 0.72 MEN1 (0.39) TDP1ALDH1A1HRH3MEN1KMT2A
SCHEMBL9103896 0.72 MEN1 (0.39) ALDH1A1HRH3MEN1KMT2ACARM1
SCHEMBL9103884 0.72 MEN1 (0.39) ALDH1A1HRH3MEN1KMT2ACARM1
SCHEMBL9285961 0.72 CYP1A2 (0.41) ALDH1A1HRH3MEN1KMT2AMAPT

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 TDP1 3315/4885ALDH1A1 2203/4885HRH3 942/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TDP1 3315/4885ALDH1A1 2203/4885HRH3 942/4885

“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.