SCHEMBL3758260

SCHEMBL3758260

O=C(NCc1ccccc1)C1c2ccccc2C(=O)N1CC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.58
SCN5A Q14524 4/20 0.58
FPR1 P21462 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KCNH2 Q12809 3/20 0.55
KCNA5 P22460 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL3747691 0.83 P2RX7 (0.61) SCN9ASCN5AKCNH2TP53
SCHEMBL3748526 0.82 KCNA5 (0.67) SCN9ASCN5AKCNH2KCNA5TDP1
SCHEMBL3745296 0.82 FPR1 (0.79) SCN9ASCN5AFPR1CYP1A2CYP3A4
SCHEMBL3749093 0.82 FPR1 (0.79) SCN9ASCN5AFPR1CYP1A2CYP3A4
SCHEMBL3750564 0.81 KCNA5 (0.60) CYP3A4CYP2C9CYP2C19KCNH2KCNA5
SCHEMBL3751057 0.80 SCN9A (0.66) SCN9ASCN5AKCNH2KCNA5TDP1
SCHEMBL3752979 0.80 TSHR (0.49) SCN9ASCN5ACYP3A4CYP2C9CYP2C19
SCHEMBL3750363 0.78 KCNA5 (0.60) SCN9ASCN5AKCNH2KCNA5TDP1
SCHEMBL3950604 0.78 SCN9A (0.59) SCN9ASCN5AKCNH2KCNA5TDP1
SCHEMBL13577811 0.77 SCN9A (0.76) SCN9ASCN5ACYP1A2CYP3A4CYP2C9

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 SCN9A 119/4885SCN5A 48/4885FPR1 3233/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 SCN9A 177/4885SCN5A 26/4885FPR1 3777/4885

“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.