SCHEMBL3759977

SCHEMBL3759977

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.47
KCNA5 P22460 3/20 0.42
SCN9A Q15858 5/20 0.42
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 2/20 0.40
SCN5A Q14524 3/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL3750083 0.91 P2RX7 (0.44) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3761329 0.90 P2RX7 (0.48) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3756919 0.90 P2RX7 (0.52) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3753653 0.85 LMNA (0.48) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3758326 0.83 SCN9A (0.45) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3758561 0.83 KCNA5 (0.43) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3758315 0.82 P2RX7 (0.55) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3758533 0.81 P2RX7 (0.55) P2RX7KCNA5SCN9ASCN5AKCNH2
SCHEMBL3756430 0.75 SCN9A (0.57) P2RX7SCN9ASCN5AKCNH2
SCHEMBL3754837 0.75 P2RX7 (0.47) P2RX7KCNA5SCN9ATSHRSCN5A

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.