SCHEMBL2856050

SCHEMBL2856050

O=C(NCC1(Cc2ccccc2)CCCCC1)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.52
P2RX7 Q99572 2/20 0.49
PTGES O14684 1/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
CHRM3 P20309 1/20 0.41
THRB P10828 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
GRIN2B Q13224 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL2861435 0.88 SLC6A9 (0.44) SLC6A9P2RX7PTGESGAANPFFR1
SCHEMBL5362779 0.84 NPC1 (0.43) SLC6A9P2RX7NPFFR1NPFFR2GRIN2B
SCHEMBL2858583 0.81 P2RX7 (0.46) P2RX7LMNAGAANPFFR1NPFFR2
SCHEMBL5355428 0.80 NPFFR1 (0.44) P2RX7LMNAGAANPFFR1NPFFR2
SCHEMBL2861616 0.79 LMNA (0.58) SLC6A9P2RX7LMNAGAANPFFR1
SCHEMBL2856026 0.79 MEN1 (0.65) P2RX7THRBMEN1ALDH1A1KMT2A
SCHEMBL2857884 0.78 ALDH1A1 (0.44) SLC6A9GAANPFFR1NPFFR2MEN1
SCHEMBL2870655 0.77 P2RX7 (0.47) P2RX7LMNAGAANPFFR1NPFFR2
SCHEMBL2861400 0.77 NPC1 (0.53) SLC6A9LMNAGAANPFFR1NPFFR2
SCHEMBL2857262 0.76 P2RX7 (0.44) SLC6A9P2RX7LMNANPFFR1NPFFR2

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 SLC6A9 1701/4885P2RX7 930/4885PTGES 1828/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 SLC6A9 1701/4885P2RX7 930/4885PTGES 1828/4885

“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.