SCHEMBL3750083

SCHEMBL3750083

CC(C)(CO)CN1C(=O)c2ccc(F)cc2C1C(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
KCNA5 P22460 7/20 0.43
SCN9A Q15858 4/20 0.42
PRMT5 O14744 5/20 0.40
WDR77 Q9BQA1 5/20 0.40
SCN5A Q14524 2/20 0.40
KCNH2 Q12809 2/20 0.40
WDR5 P61964 1/20 0.39

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
SCHEMBL3759977 0.91 P2RX7 (0.47) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3758561 0.88 KCNA5 (0.43) P2RX7KCNA5SCN9APRMT5WDR77
SCHEMBL3756919 0.88 P2RX7 (0.52) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3754837 0.84 P2RX7 (0.47) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3751987 0.82 SCN9A (0.49) KCNA5SCN9APRMT5WDR77SCN5A
SCHEMBL3761329 0.80 P2RX7 (0.48) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3758533 0.79 P2RX7 (0.55) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3753991 0.79 KCNA5 (0.48) P2RX7KCNA5SCN9APRMT5WDR77
SCHEMBL3753653 0.78 LMNA (0.48) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3758315 0.77 P2RX7 (0.55) P2RX7KCNA5SCN9ASCN5AKCNH2

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 P2RX7 1839/4885KCNA5 69/4885SCN9A 119/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 P2RX7 1138/4885KCNA5 72/4885SCN9A 177/4885

“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.