SCHEMBL2867565

SCHEMBL2867565

COc1cc(OC)cc(C(=O)NCC2(Cc3ccccc3)CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 2/20 0.55
KCNH2 Q12809 6/20 0.54
SLC6A5 Q9Y345 3/20 0.51
GAA P10253 3/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 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
SCHEMBL2857681 0.91 ALDH1A1 (0.67) NPC1ALDH1A1GAARAB9AMEN1
SCHEMBL2861616 0.84 LMNA (0.58) NPC1ALDH1A1GAARAB9AL3MBTL1
SCHEMBL2853482 0.81 MEN1 (0.55) NPC1ALDH1A1SLC6A5RAB9AMEN1
SCHEMBL2856026 0.80 MEN1 (0.65) ALDH1A1MEN1KMT2A
SCHEMBL2861728 0.79 MAPT (0.60) NPC1ALDH1A1RAB9AKMT2ACYP2D6
SCHEMBL2859748 0.78 GAA (0.48) ALDH1A1GAANPSR1KDM4E
SCHEMBL5462309 0.78 TP53 (0.62) NPC1ALDH1A1KCNH2GAARAB9A
SCHEMBL5351381 0.78 ALDH1A1 (0.45) ALDH1A1SLC6A5GAAL3MBTL1NPSR1
SCHEMBL2864930 0.77 NPFFR1 (0.52) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL9146667 0.76 OPRM1 (0.50) NPC1ALDH1A1GAARAB9AMEN1

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 9 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

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 NPC1 675/4885ALDH1A1 4075/4885KCNH2 5/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 NPC1 675/4885ALDH1A1 4075/4885KCNH2 5/4885

“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.