SCHEMBL6992978

SCHEMBL6992978

CC(=O)N1CCN(CCCN2CC3CC(C2)CN(CCOc2ccc(C#N)cc2)C3)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.58
KCNA5 P22460 5/20 0.56
HRH3 Q9Y5N1 7/20 0.56
HRH2 P25021 7/20 0.56
HRH1 P35367 7/20 0.56
EPHX2 P34913 2/20 0.52
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
MEN1 O00255 1/20 0.50

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
SCHEMBL6095366 0.92 DRD3 (0.60) DRD3KCNA5HRH3HRH2HRH1
SCHEMBL2967914 0.89 DRD3 (0.57) DRD3KCNA5HRH3HRH2HRH1
SCHEMBL7035874 0.86 POLB (0.52) HRH3HRH2HRH1EPHX2MEN1
SCHEMBL5965580 0.86 HRH2 (0.54) DRD3KCNA5HRH3HRH2HRH1
SCHEMBL6989013 0.82 EPHX2 (0.45) HRH3HRH2HRH1EPHX2MEN1
SCHEMBL6990862 0.82 THRB (0.43) HRH3HRH2HRH1EPHX2MEN1
SCHEMBL6737659 0.82 EPHX2 (0.48) KCNA5EPHX2
SCHEMBL6096247 0.82 HRH1 (0.57) DRD3KCNA5HRH3HRH2HRH1
SCHEMBL7034139 0.81 EPHX2 (0.45) DRD3KCNA5HRH3HRH2HRH1
SCHEMBL6994724 0.81 HRH2 (0.42) DRD3KCNA5HRH3HRH2HRH1

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 3 patents. 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
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO 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 DRD3 51/4885KCNA5 79/4885HRH3 402/4885

“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.