SCHEMBL2856026

SCHEMBL2856026

COc1ccccc1C(=O)NCC1(Cc2ccccc2)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 1/20 0.65
TP53 P04637 2/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59
HCN4 Q9Y3Q4 4/20 0.58
HCN1 O60741 4/20 0.58
KCNA3 P22001 8/20 0.56
P2RX7 Q99572 1/20 0.54
THRB P10828 1/20 0.51

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
SCHEMBL2469491 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1TP53GLA
SCHEMBL12195395 0.85 NPFFR1 (0.58) MEN1KMT2AALDH1A1TP53GLA
SCHEMBL2471540 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1TP53GLA
SCHEMBL13593952 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1TP53GLA
SCHEMBL2467869 0.82 KCNA3 (0.53) MEN1KMT2AALDH1A1TP53GLA
SCHEMBL2471064 0.81 SLC6A9 (0.56) MEN1KMT2AALDH1A1TP53GLA
SCHEMBL3904049 0.81 MEN1 (0.97) MEN1KMT2AALDH1A1KCNA3
SCHEMBL2867565 0.80 NPC1 (0.57) MEN1KMT2AALDH1A1
SCHEMBL2861616 0.79 LMNA (0.58) ALDH1A1TP53P2RX7
SCHEMBL3455503 0.79 MEN1 (1.00) MEN1KMT2AALDH1A1KCNA3

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 12 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
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
EP-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 EP disclosed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 US disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO 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 (3 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 MEN1 4430/4885KMT2A 1396/4885ALDH1A1 4075/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 MEN1 4430/4885KMT2A 1396/4885ALDH1A1 4075/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 MEN1 4044/4885KMT2A 1835/4885ALDH1A1 2859/4885

“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.