SCHEMBL3752914

SCHEMBL3752914

CC(C)(C)OC(=O)CNC(=O)C1c2ccccc2C(=O)N1CCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SCN9A Q15858 8/20 0.47
SCN5A Q14524 5/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 2/20 0.45
KCNA5 P22460 5/20 0.42
KCNH2 Q12809 4/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3751788 0.84 KCNA5 (0.58) TSHRGAAALDH1A1SCN9ASCN5A
SCHEMBL3745594 0.82 SCN9A (0.46) TSHRGAAALDH1A1SCN9ASCN5A
SCHEMBL3743765 0.82 TDP1 (0.60) TSHRGAAALDH1A1SCN9ASCN5A
SCHEMBL3752979 0.80 TSHR (0.49) TSHRGAAALDH1A1SCN9ASCN5A
SCHEMBL3754328 0.77 KCNA5 (0.71) KCNA5KCNH2
SCHEMBL3761488 0.77 KCNA5 (0.54) ALDH1A1KCNA5KCNH2
SCHEMBL3746135 0.76 ALDH1A1 (0.65) ALDH1A1KCNA5KCNH2
SCHEMBL3749120 0.72 SCN9A (0.55) ALDH1A1SCN9ASCN5AKCNA5KCNH2
SCHEMBL3750327 0.72 KMT2A (0.65) TSHRGAAALDH1A1SCN9ASCN5A
SCHEMBL27755671 0.72 TSHR (0.69) TSHRGAAALDH1A1CYP3A4CYP2C9

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 TSHR 1287/4885GAA 3997/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TSHR 1483/4885GAA 4674/4885ALDH1A1 310/4885

“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.