SCHEMBL3750647

SCHEMBL3750647

C[C@H](c1ccccc1)N1C(=O)c2ccc(F)cc2C1C(=O)NCCCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.54
CCR3 P51677 1/20 0.39
P2RX7 Q99572 1/20 0.38
KCNH2 Q12809 3/20 0.38
SCN9A Q15858 3/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN5A Q14524 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL3746172 0.91 KCNA5 (0.43) KCNA5CCR3P2RX7KCNH2SCN9A
SCHEMBL3751700 0.90 KCNA5 (0.53) KCNA5P2RX7KCNH2SCN9ATSHR
SCHEMBL3753076 0.89 KCNA5 (0.67) KCNA5P2RX7KCNH2SCN9ATSHR
SCHEMBL3754015 0.84 KCNA5 (0.77) KCNA5P2RX7KCNH2SCN9ATSHR
SCHEMBL3752007 0.82 KCNA5 (0.55) KCNA5P2RX7TSHRHTTL3MBTL1
SCHEMBL3760228 0.81 KCNA5 (0.53) KCNA5P2RX7KCNH2TSHRHTT
SCHEMBL3757697 0.80 KCNA5 (0.42) KCNA5P2RX7KCNH2SCN9ASCN5A
SCHEMBL3757690 0.80 KCNA5 (0.53) KCNA5TSHRHTTL3MBTL1
SCHEMBL3755825 0.80 KCNA5 (0.67) KCNA5P2RX7KCNH2SCN9AHTT
SCHEMBL3755150 0.79 KCNA5 (0.53) KCNA5P2RX7KCNH2SCN9ATSHR

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
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
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 69/4885CCR3 4347/4885P2RX7 1839/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885CCR3 4650/4885P2RX7 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.