SCHEMBL3758266

SCHEMBL3758266

CCC(C)NC(=O)C1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KCNA5 P22460 5/20 0.53
KCNH2 Q12809 3/20 0.52
P2RX7 Q99572 1/20 0.48
KMT2A Q03164 2/20 0.47
SCN9A Q15858 3/20 0.46
SCN5A Q14524 2/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44

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
SCHEMBL3762841 0.82 KCNA5 (0.58) KCNA5KCNH2P2RX7SCN9ASCN5A
SCHEMBL3752465 0.82 KCNA5 (0.69) ALDH1A1KCNA5KCNH2P2RX7KMT2A
SCHEMBL3750835 0.80 MDM2 (0.57) ALDH1A1NPSR1KCNA5KCNH2P2RX7
SCHEMBL3751622 0.80 SCN9A (0.62) KCNA5KCNH2P2RX7SCN9ASCN5A
SCHEMBL3753733 0.80 ALDH1A1 (0.62) ALDH1A1KCNA5KCNH2P2RX7KMT2A
SCHEMBL3753672 0.79 MDM2 (0.48) ALDH1A1NPSR1KCNA5KCNH2P2RX7
SCHEMBL3762651 0.79 MDM2 (0.46) KCNA5KCNH2P2RX7SCN9ASCN5A
SCHEMBL3943038 0.78 SCN9A (0.61) KCNA5KCNH2SCN9ASCN5A
SCHEMBL3750213 0.78 GAA (0.66) ALDH1A1TSHRNPSR1GAATP53
SCHEMBL3751140 0.77 MDM2 (0.44) ALDH1A1NPSR1KCNA5KCNH2P2RX7

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 ALDH1A1 315/4885TSHR 1287/4885NPSR1 806/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 ALDH1A1 310/4885TSHR 1483/4885NPSR1 1016/4885

“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.