SCHEMBL3752024

SCHEMBL3752024

O=C(NC1CCCCC1)C1c2ccccc2C(=O)N1C1CCCCC1

nearest known ligand 0.95

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.95
HTT P42858 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
GAA P10253 1/20 0.60
TP53 P04637 1/20 0.59
ALDH1A1 P00352 1/20 0.59
FPR1 P21462 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
MCHR1 Q99705 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
THRB P10828 1/20 0.54

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
SCHEMBL3751603 0.82 TSHR (0.67) TSHRHTTL3MBTL1ALDH1A1FPR1
SCHEMBL3749093 0.81 FPR1 (0.79) TSHRHTTALDH1A1FPR1CYP3A4
SCHEMBL3745296 0.81 FPR1 (0.79) TSHRHTTALDH1A1FPR1CYP3A4
SCHEMBL3748963 0.79 GAA (0.76) TSHRHTTL3MBTL1GAATP53
SCHEMBL3750893 0.79 TSHR (0.61) TSHRHTTL3MBTL1GAAALDH1A1
SCHEMBL3745317 0.79 FPR1 (0.67) TSHRTP53ALDH1A1FPR1CYP3A4
SCHEMBL3755046 0.79 TSHR (0.61) TSHRHTTL3MBTL1ALDH1A1FPR1
SCHEMBL3745336 0.79 TSHR (0.61) TSHRHTTL3MBTL1TP53ALDH1A1
SCHEMBL30414906 0.79 TSHR (0.62) TSHRHTTL3MBTL1GAATP53
SCHEMBL29012696 0.79 TSHR (0.62) TSHRHTTL3MBTL1GAATP53

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 1287/4885HTT 3361/4885L3MBTL1 1995/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TSHR 1483/4885HTT 3086/4885L3MBTL1 1605/4885

“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.