SCHEMBL3752979

SCHEMBL3752979

CC(C)(C)OC(=O)CNC(=O)C1c2ccccc2C(=O)N1CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SCN9A Q15858 2/20 0.47
SCN5A Q14524 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
THRB P10828 1/20 0.46
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCHR1 Q99705 1/20 0.44
F2 P00734 1/20 0.44
PTPRC P08575 2/20 0.43

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
SCHEMBL3758956 0.85 SCN9A (0.52) TSHRALDH1A1SCN9ASCN5AGAA
SCHEMBL3750564 0.83 KCNA5 (0.60) TSHRALDH1A1GAACYP3A4CYP2C9
SCHEMBL3752914 0.80 TSHR (0.50) TSHRALDH1A1SCN9ASCN5AGAA
SCHEMBL3758260 0.80 SCN9A (0.58) ALDH1A1SCN9ASCN5ACYP3A4CYP2C9
SCHEMBL3743765 0.80 TDP1 (0.60) TSHRALDH1A1SCN9ASCN5AGAA
SCHEMBL3745594 0.80 SCN9A (0.46) TSHRALDH1A1SCN9ASCN5AGAA
SCHEMBL3754328 0.78 KCNA5 (0.71) KCNH2
SCHEMBL3761488 0.78 KCNA5 (0.54) ALDH1A1THRBKCNH2TP53MAPT
SCHEMBL3746135 0.77 ALDH1A1 (0.65) ALDH1A1KCNH2TP53MAPTNPSR1
SCHEMBL27755697 0.77 TSHR (0.43) TSHRALDH1A1GAACYP3A4CYP2C9

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 TSHR 1287/4885ALDH1A1 315/4885SCN9A 119/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TSHR 1483/4885ALDH1A1 310/4885SCN9A 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.