SCHEMBL6706897

SCHEMBL6706897

CCCC(O[C]=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 1/20 0.45
KCNE1 P15382 1/20 0.45
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 3/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
SCN5A Q14524 1/20 0.38
KCND3 Q9UK17 1/20 0.38

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
SCHEMBL6710205 0.87 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL7449241 0.82 KCNA5 (0.54) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL6708539 0.78 ATM (0.33) CYP2D6SMN1; SMN2CYP2C19KDM4ECYP2C9
SCHEMBL443975 0.75 CYP3A4 (0.42) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL1432767 0.75 AOC3 (0.39) KCNH2CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL1456060 0.74 SLC6A3 (0.44) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL12488384 0.73 KCNA5 (0.51) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL1807175 0.72 KCNA5 (0.51) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL23969993 0.72 KCNH2 (0.55) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL2957267 0.72 TSHR (0.58) KCNA5KCNH2CYP2D6KCNE1MEN1

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-20040019068-A1 Novel remedies or preventives for angiostenosis NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2004-01-29 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-20040019068-A1 Novel remedies or preventives for angiostenosis CMA1, ACE, AGTR1 KCNA5 3211/4885KCNH2 2496/4885CYP2D6 3461/4885

“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.