SCHEMBL3751131

SCHEMBL3751131

CC(C)(C)CN1C(=O)c2ccc(F)cc2C1C(=O)NCc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.49
P2RX7 Q99572 4/20 0.49
KCNH2 Q12809 2/20 0.46
GRM7 Q14831 1/20 0.46
RIPK1 Q13546 1/20 0.44
PPIA P62937 1/20 0.42
SCN9A Q15858 2/20 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
SCHEMBL3760032 0.90 P2RX7 (0.56) KCNA5P2RX7KCNH2GRM7RIPK1
SCHEMBL3753991 0.85 KCNA5 (0.48) KCNA5P2RX7KCNH2SCN9A
SCHEMBL3946919 0.82 ALDH1A1 (0.51) KCNA5KCNH2
SCHEMBL3750421 0.79 KCNA5 (0.55) KCNA5P2RX7KCNH2SCN9A
SCHEMBL3752070 0.78 KCNA5 (0.48) KCNA5KCNH2SCN9A
SCHEMBL3750363 0.74 KCNA5 (0.60) KCNA5P2RX7KCNH2SCN9A
SCHEMBL3744430 0.74 KCNA5 (0.52) KCNA5P2RX7KCNH2SCN9A
SCHEMBL3758561 0.74 KCNA5 (0.43) KCNA5P2RX7KCNH2SCN9A
SCHEMBL3753743 0.73 MAPT (0.57) KCNA5KCNH2SCN9A
SCHEMBL3743855 0.73 KCNA5 (0.69) KCNA5KCNH2

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 69/4885P2RX7 1839/4885KCNH2 2/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885P2RX7 1138/4885KCNH2 2/4885

“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.