SCHEMBL2860469

SCHEMBL2860469

COc1ccc(CNC(=O)C2(c3ccccc3)CCCCC2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 1/20 0.56
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48

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
SCHEMBL2515387 0.89 TACR1 (0.53) ALDH1A1MAPK1MEN1KMT2ATAS1R3
SCHEMBL2856031 0.87 L3MBTL1 (0.62) ERCC1ERCC4MEN1KMT2AL3MBTL1
SCHEMBL2472642 0.85 KMT2A (0.52) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2469507 0.84 USP2 (0.53) ALDH1A1MAPK1KMT2ATAS1R3TAS1R1
SCHEMBL2472072 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2ATAS1R3
SCHEMBL15254784 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1TAS1R3TAS1R1
SCHEMBL2472772 0.82 KMT2A (0.48) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2472775 0.82 KMT2A (0.48) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2470804 0.82 TSHR (0.53) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2468936 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1MEN1KMT2ATAS1R3

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-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-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
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 4075/4885MAPK1 1357/4885ERCC1 3164/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885MAPK1 1357/4885ERCC1 3164/4885

“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.