SCHEMBL2856017

SCHEMBL2856017

COc1ccccc1C(=O)NC(c1ccccc1)C1CCC(N2C(=O)CN(Cc3ccccc3)C2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
ENPP2 Q13822 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
KCNA5 P22460 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
ROCK2 O75116 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A12 P48065 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNA3 P22001 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2867357 0.87 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1KCNA5MEN1
SCHEMBL5346663 0.80 ALDH1A1 (0.47) ALDH1A1HPGDMAPTMAPK1KCNA5
SCHEMBL2856013 0.77 KCNA3 (0.60) ALDH1A1MEN1KMT2AKCNA3
SCHEMBL2856016 0.77 KCNA3 (0.60) ALDH1A1MEN1KMT2AKCNA3
SCHEMBL3455507 0.76 MEN1 (0.62) ALDH1A1HPGDMAPK1KCNA5MEN1
SCHEMBL5352168 0.75 ALDH1A1 (0.48) ALDH1A1HPGDMAPK1KCNA5MEN1
SCHEMBL5460073 0.70 HPGD (0.44) ALDH1A1HPGDMAPK1KCNA5SMYD3
SCHEMBL5455069 0.70 HPGD (0.44) ALDH1A1HPGDMAPK1TSHRKCNA5
SCHEMBL5357903 0.69 ALDH1A1 (0.49) ALDH1A1HPGDMAPK1KCNA5MEN1
SCHEMBL5463840 0.69 ALDH1A1 (0.47) ALDH1A1HPGDMAPTMAPK1KCNA5

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 4 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-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885HPGD 3115/4885ENPP2 869/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885HPGD 3115/4885ENPP2 869/4885

“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.