SCHEMBL2861435

SCHEMBL2861435

O=C(NCC1(Cc2ccccc2)CCCCC1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.44
PTGES O14684 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
P2RX7 Q99572 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD11B1 P28845 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2856050 0.88 SLC6A9 (0.52) SLC6A9PTGESNPFFR1NPFFR2P2RX7
SCHEMBL2857884 0.87 ALDH1A1 (0.44) SLC6A9NPFFR1NPFFR2ALDH1A1HSD11B1
SCHEMBL2857262 0.83 P2RX7 (0.44) SLC6A9NPFFR1NPFFR2P2RX7ALDH1A1
SCHEMBL5355428 0.80 NPFFR1 (0.44) NPFFR1NPFFR2P2RX7ALDH1A1MEN1
SCHEMBL5362779 0.80 NPC1 (0.43) SLC6A9NPFFR1NPFFR2P2RX7
SCHEMBL2858583 0.77 P2RX7 (0.46) NPFFR1NPFFR2P2RX7ALDH1A1MEN1
SCHEMBL2861616 0.75 LMNA (0.58) SLC6A9NPFFR1NPFFR2P2RX7ALDH1A1
SCHEMBL2861400 0.75 NPC1 (0.53) SLC6A9NPFFR1NPFFR2ALDH1A1GAA
SCHEMBL2856026 0.74 MEN1 (0.65) P2RX7ALDH1A1TP53MEN1KMT2A
SCHEMBL5351381 0.74 ALDH1A1 (0.45) NPFFR1NPFFR2ALDH1A1HSD11B1TP53

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 SLC6A9 1701/4885PTGES 1828/4885NPFFR1 1718/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 SLC6A9 1701/4885PTGES 1828/4885NPFFR1 1718/4885

“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.