SCHEMBL3751868

SCHEMBL3751868

CC(CN1C(=O)c2ccccc2C1C(=O)NC1CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.60
KCNH2 Q12809 1/20 0.59
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
TP53 P04637 1/20 0.47
BACE1 P56817 1/20 0.46
MC4R P32245 1/20 0.46
CCR2 P41597 2/20 0.45
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL3756665 0.80 KCNA5 (0.77) KCNA5KCNH2
SCHEMBL3744483 0.79 KCNA5 (0.77) KCNA5KCNH2TP53GAACYP3A4
SCHEMBL3749069 0.79 KCNA5 (0.80) KCNA5KCNH2TP53
SCHEMBL3756606 0.78 KCNA5 (0.76) KCNA5KCNH2TP53GAACYP3A4
SCHEMBL3762887 0.78 KCNA5 (0.72) KCNA5KCNH2TP53
SCHEMBL3753606 0.77 KCNA5 (0.85) KCNA5KCNH2TP53GAA
SCHEMBL3762625 0.77 TP53 (0.57) KCNA5DRD2DRD4TP53BACE1
SCHEMBL3758397 0.76 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL3754038 0.76 DRD4 (0.55) DRD2DRD4UBE2MDCUN1D1TP53
SCHEMBL3758356 0.76 KCNA5 (1.00) KCNA5KCNH2TP53GAA

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 KCNA5 69/4885KCNH2 2/4885DRD2 712/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885DRD2 233/4885

“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.