SCHEMBL5158330

SCHEMBL5158330

COC(=O)CCc1cnc(C2CN(C(=O)OC(C)(C)C)C3CCCCC23)s1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.31
SCN3A Q9NY46 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLS O94925 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HDAC1 Q13547 1/20 0.31
KLKB1 P03952 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MMP13 P45452 1/20 0.30
ACKR3 P25106 1/20 0.30
ATM Q13315 2/20 0.30

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
SCHEMBL6178048 0.82 ALDH1A1 (0.43) SCN5ASCN3AL3MBTL1ALDH1A1MAPT
SCHEMBL5160587 0.82 ALDH1A1 (0.43) SCN5ASCN3AL3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5160519 0.81 ALDH1A1 (0.42) SCN5ASCN3AL3MBTL1ALDH1A1MAPT
SCHEMBL14371776 0.80 ALDH1A1 (0.32) ALDH1A1MAPTHPGD
SCHEMBL5158325 0.80 ALDH1A1 (0.32) ALDH1A1MAPTHPGD
SCHEMBL14371698 0.79 UCHL1 (0.37) SCN5ASCN3A
SCHEMBL14371716 0.79 UCHL1 (0.37) SCN5ASCN3A
SCHEMBL14400254 0.79 GPR119 (0.34) SCN5ASCN3AL3MBTL1GLSALDH1A1
SCHEMBL5160579 0.78 CYP1A2 (0.37) ALDH1A1HDAC1
SCHEMBL14371739 0.78 GCK (0.32) SCN5ASCN3AALDH1A1ACKR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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 (1 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 SCN5A 86/4885SCN3A 93/4885NR1H2 2156/4885

“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.