SCHEMBL7028501

SCHEMBL7028501

CC(C)(C)C(=O)CN1CC2CC(CN(CCOc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.47
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH2 P25021 10/20 0.42
HRH1 P35367 10/20 0.42
HRH3 Q9Y5N1 9/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6093537 0.91 KCNA5 (0.49) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL2967821 0.88 KCNH2 (0.48) KCNA5KDM4EHRH2HRH1HRH3
SCHEMBL5965670 0.83 KCNA5 (0.44) KCNA5HRH2HRH1HRH3ALDH1A1
SCHEMBL7035960 0.83 KCNH2 (0.49) KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2964375 0.83 KCNH2 (0.54) HRH2HRH1HRH3
SCHEMBL6622255 0.83 GPR119 (0.49) KCNA5HRH2HRH1HRH3
SCHEMBL6995039 0.82 GRIN1 (0.42) KDM4EHRH3ALDH1A1MAPT
SCHEMBL6995238 0.81 HTR1A (0.40) HRH2HRH1HRH3
SCHEMBL6986200 0.80 CCR3 (0.39) KCNA5HRH2HRH1
SCHEMBL7033675 0.80 HRH2 (0.37) HRH2HRH1ALDH1A1

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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E KCNA5 79/4885KDM4E 4058/4885SMN1; SMN2 3890/4885

“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.