SCHEMBL5363722

SCHEMBL5363722

C=C(C)C1(C(=O)NCc2cccc(-c3ccccc3)c2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.49
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
LIPG Q9Y5X9 2/20 0.42
PADI1 Q9ULC6 1/20 0.42
PADI3 Q9ULW8 1/20 0.42
CHRM4 P08173 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SRC P12931 1/20 0.42
MMP8 P22894 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL5351192 0.80 AOC3 (0.50) AOC3ERCC1ERCC4ERAP2ERAP1
SCHEMBL14491527 0.79 ERCC1 (0.71) AOC3ERCC1ERCC4PADI1PADI3
SCHEMBL13066397 0.77 MMP8 (0.55) MMP8EPHX2EPHX1
SCHEMBL17107769 0.76 MMP8 (0.55) ERCC1ERCC4MMP8METAP2EPHX1
SCHEMBL6418674 0.74 AOC3 (0.67) AOC3ERAP2ERAP1LNPEPLIPG
SCHEMBL12492886 0.74 MMP8 (0.55) MMP8METAP2EPHX1
SCHEMBL7435493 0.73 MMP8 (0.57) ERCC1ERCC4MMP8METAP2EPHX1
SCHEMBL14365887 0.72 AOC3 (0.63) AOC3ERAP2ERAP1LNPEPLIPG
SCHEMBL5350801 0.72 MTNR1A (0.55) EPHX2
SCHEMBL12491992 0.70 MMP8 (0.57) MMP8METAP2EPHX1

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
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 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 (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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 AOC3 4260/4885ERCC1 3164/4885ERCC4 3218/4885

“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.