SCHEMBL3753653

SCHEMBL3753653

CC(C)(CO)CN1C(=O)c2ccc(Cl)cc2C1C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
P2RX7 Q99572 3/20 0.46
KCNA5 P22460 2/20 0.45
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CCR1 P32246 6/20 0.43
SCN9A Q15858 3/20 0.43
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL3761329 0.91 P2RX7 (0.48) P2RX7KCNA5TDP1SCN9AKCNH2
SCHEMBL3754837 0.90 P2RX7 (0.47) P2RX7KCNA5KMT2ACCR1SCN9A
SCHEMBL3750408 0.89 SCN9A (0.53) P2RX7KCNA5MEN1KMT2ATDP1
SCHEMBL3758561 0.86 KCNA5 (0.43) P2RX7KCNA5KMT2ASCN9AKCNH2
SCHEMBL3758326 0.86 SCN9A (0.45) P2RX7KCNA5SCN9AKCNH2SCN5A
SCHEMBL3759977 0.85 P2RX7 (0.47) LMNAP2RX7KCNA5SCN9AKCNH2
SCHEMBL3758315 0.84 P2RX7 (0.55) P2RX7KCNA5TDP1SCN9AKCNH2
SCHEMBL3754225 0.81 SCN9A (0.54) P2RX7KCNA5MEN1KMT2ATDP1
SCHEMBL3750083 0.78 P2RX7 (0.44) P2RX7KCNA5SCN9AKCNH2SCN5A
SCHEMBL3756919 0.77 P2RX7 (0.52) P2RX7KCNA5TDP1SCN9AKCNH2

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 6 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
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 LMNA 228/4885HPGD 2802/4885P2RX7 1839/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 LMNA 461/4885HPGD 592/4885P2RX7 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.