SCHEMBL3756606

SCHEMBL3756606

CC(C)NC(=O)C1c2ccccc2C(=O)N1CC(C)c1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.76
KCNH2 Q12809 2/20 0.73
P2RX7 Q99572 2/20 0.48
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MDM2 Q00987 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
SCHEMBL3744483 0.90 KCNA5 (0.77) KCNA5KCNH2P2RX7TP53TSHR
SCHEMBL3753606 0.88 KCNA5 (0.85) KCNA5KCNH2P2RX7TP53ALDH1A1
SCHEMBL3758397 0.87 KCNA5 (0.73) KCNA5KCNH2P2RX7
SCHEMBL3761054 0.87 KCNA5 (0.67) KCNA5KCNH2P2RX7TP53TSHR
SCHEMBL3762887 0.86 KCNA5 (0.72) KCNA5KCNH2P2RX7TP53ALDH1A1
SCHEMBL3758356 0.86 KCNA5 (1.00) KCNA5KCNH2P2RX7TP53ALDH1A1
SCHEMBL3756665 0.85 KCNA5 (0.77) KCNA5KCNH2P2RX7ALDH1A1SCN5A
SCHEMBL3943948 0.85 KCNA5 (0.70) KCNA5KCNH2P2RX7TP53ALDH1A1
SCHEMBL3748469 0.85 KCNA5 (0.64) KCNA5KCNH2P2RX7TSHRALDH1A1
SCHEMBL3755834 0.85 KCNA5 (0.75) KCNA5KCNH2P2RX7TP53SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 KCNA5 69/4885KCNH2 2/4885P2RX7 1839/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885P2RX7 1138/4885

“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.