SCHEMBL3755916

SCHEMBL3755916

O=C(NC12CC3CC(CC(C3)C1)C2)C1c2ccccc2C(=O)N1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PSMB5 P28074 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 2/20 0.42
KCNA5 P22460 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR2 P34972 5/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 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
SCHEMBL3758486 0.86 GAA (0.58) GAAALDH1A1TSHRHPGDHTT
SCHEMBL3751962 0.85 L3MBTL1 (0.56) ALDH1A1TSHRHTTNPSR1MEN1
SCHEMBL3755046 0.76 TSHR (0.61) ALDH1A1TSHRKDM4EHPGDHTT
SCHEMBL3748963 0.74 GAA (0.76) GAAALDH1A1TSHRHTTMAPT
SCHEMBL3758084 0.72 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AKCNH2KCNA5
SCHEMBL3760753 0.72 KCNA5 (0.63) GAAALDH1A1TSHRMAPTNPSR1
SCHEMBL3754848 0.72 ALDH1A1 (0.58) GAAALDH1A1TSHRKDM4EHTT
SCHEMBL3754140 0.70 KCNA5 (0.58) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL3455353 0.69 ALDH1A1 (0.59) PSMB5ALDH1A1KDM4EHPGDHTT
SCHEMBL3758249 0.67 GAA (0.78) GAAALDH1A1TSHRHTTMAPT

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 GAA 3997/4885PSMB5 2365/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GAA 4674/4885PSMB5 2595/4885ALDH1A1 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.