SCHEMBL4965339

SCHEMBL4965339

O=[N+]([O-])c1ccc(CCN2CC3CC(C2)CN(CCc2ccc([N+](=O)[O-])cc2)C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 15/20 0.69
KCNH2 Q12809 14/20 0.69
HRH3 Q9Y5N1 3/20 0.65
MAOA P21397 1/20 0.57
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL14569972 0.87 KCNJ1 (0.51) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL6738792 0.84 KCNJ1 (0.50) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL2731306 0.82 KCNJ1 (1.00) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL14569975 0.81 KCNJ1 (0.46) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL10232396 0.81 KCNJ1 (0.63) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL5653299 0.79 HRH3 (0.93) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL3156895 0.79 HRH3 (1.00) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL2723701 0.78 KCNJ1 (0.59) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL10234046 0.78 KCNJ1 (0.59) KCNJ1KCNH2HRH3MAOASIGMAR1
SCHEMBL15215142 0.78 KCNJ1 (0.59) KCNJ1KCNH2HRH3MAOASIGMAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678499-B1 CHEMICAL COMPOUND AND ASSAY ASTRAZENECA AB (SE) 2008-06-25 EP claimed
US-20070048215-A1 Chemical compound and assay ASTRAZENECA AB (SE) 2007-03-01 US claimed
EP-1678499-A2 CHEMICAL COMPOUND AND ASSAY AstraZeneca AB (SE) 2006-07-12 EP claimed
WO-2005037052-A2 BINDING ASSAY WITH LABELLED BISPIDINE VARIANT ASTRAZENECA AB (SE) 2005-04-28 WO claimed
EP-1678499-B1 CHEMICAL COMPOUND AND ASSAY ASTRAZENECA AB (SE) 2008-06-25 EP disclosed
US-20070048215-A1 Chemical compound and assay ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070048215-A1 Chemical compound and assay ASTRAZENECA AB (SE) 2007-03-01 US disclosed
US-20070048215-A1 Chemical compound and assay ASTRAZENECA AB (SE) 2007-03-01 US disclosed
EP-1678499-A2 CHEMICAL COMPOUND AND ASSAY AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005037052-A2 BINDING ASSAY WITH LABELLED BISPIDINE VARIANT ASTRAZENECA AB (SE) 2005-04-28 WO disclosed
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 (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-20070048215-A1 Chemical compound and assay KCNH2, KCNH3, KCNJ5 KCNJ1 18/4885KCNH2 1/4885HRH3 775/4885
US-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E KCNJ1 129/4885KCNH2 7/4885HRH3 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.