SCHEMBL2468205

SCHEMBL2468205

COc1cccc(O)c1C(=O)NC(Cc1ccccc1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 7/20 0.42
ITGB7 P26010 7/20 0.42
ITGB1 P05556 5/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CCR8 P51685 2/20 0.38
KCNH2 Q12809 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC6A9 P48067 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL2469393 0.92 ITGA4 (0.38) ITGA4ITGB7ITGB1ALDH1A1GAA
SCHEMBL2468212 0.88 ITGA4 (0.38) ITGA4ITGB7ITGB1ALDH1A1GAA
SCHEMBL2470270 0.83 ALDH1A1 (0.47) ITGA4ITGB7ITGB1ALDH1A1MEN1
SCHEMBL2469667 0.82 SLC6A9 (0.38) ITGA4ITGB7ITGB1ALDH1A1L3MBTL1
SCHEMBL2471550 0.80 MEN1 (0.43) ITGA4ITGB7ALDH1A1CCR8KCNH2
SCHEMBL2465742 0.80 PSMB5 (0.43) ITGA4ITGB7ITGB1ALDH1A1MEN1
SCHEMBL2470590 0.79 PSMB5 (0.52) ITGA4ITGB7ALDH1A1L3MBTL1MEN1
SCHEMBL2471159 0.79 SLC6A9 (0.36) ITGA4ITGB7ITGB1ALDH1A1CCR8
SCHEMBL2472052 0.79 CTRB1 (0.46)
SCHEMBL2701371 0.77 ITGA4 (0.35) ITGA4ITGB7ITGB1ALDH1A1CCR8

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
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 ITGA4 4566/4885ITGB7 3975/4885ITGB1 4159/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ITGA4 4566/4885ITGB7 3975/4885ITGB1 4159/4885

“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.