SCHEMBL3755271

SCHEMBL3755271

CCOCCN1C(=O)c2ccccc2C1C(=O)NC(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
SCN9A Q15858 2/20 0.48
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.46
KCNA5 P22460 4/20 0.45
KCNH2 Q12809 2/20 0.45
SCN5A Q14524 1/20 0.45
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL3748598 0.83 TDP1 (0.62) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3949867 0.81 GAA (0.55) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3756958 0.75 KCNA5 (0.72) TSHRALDH1A1NPSR1THRBKCNA5
SCHEMBL3756606 0.73 KCNA5 (0.76) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3758266 0.71 ALDH1A1 (0.54) TSHRALDH1A1GAANPSR1SCN9A
SCHEMBL3749308 0.71 KCNA5 (0.64) TSHRALDH1A1GAASCN9AKMT2A
SCHEMBL3754098 0.70 TSHR (0.51) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3753622 0.70 GAA (0.57) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL3750458 0.70 KCNA5 (0.66) TSHRALDH1A1GAAKCNA5KCNH2
SCHEMBL3745776 0.70 KCNA5 (0.62) TSHRCYP3A4CYP2C9CYP2C19ALDH1A1

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 1287/4885CYP3A4 74/4885CYP2C9 82/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TSHR 1483/4885CYP3A4 140/4885CYP2C9 167/4885

“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.