SCHEMBL16282944

SCHEMBL16282944

CC(C)(C)CN1CCN(CC2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.42
KDM2B Q8NHM5 1/20 0.33
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
SCN7A Q01118 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN11A Q9UI33 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL24079499 0.88 NCF1 (0.42) CHRM5ADRA2CACHEKDM2BKCNH2
SCHEMBL21933470 0.86 CHRM5 (0.36) CHRM5ADRA2CACHEKDM2B
SCHEMBL23919055 0.86 CACNA2D1 (0.40) CHRM5ADRA2CACHE
SCHEMBL21933471 0.85 ACHE (0.39) CHRM5ADRA2CACHE
SCHEMBL20314496 0.84 ACHE (0.32) CHRM5ADRA2CACHE
SCHEMBL25133598 0.81 ACHE (0.31) CHRM5ADRA2CACHE
SCHEMBL21472825 0.81 ACHE (0.39) CHRM5ADRA2CACHE
SCHEMBL12092353 0.80 HTR7 (0.34)
SCHEMBL7321483 0.80 CHRM5 (0.60) CHRM5ADRA2CACHESCN1ASCN4A
SCHEMBL19543019 0.80 HTR7 (0.34)

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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 CHRM5 3657/4885ADRA2C 1350/4885ACHE 3873/4885

“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.