SCHEMBL2858583

SCHEMBL2858583

O=C(NCC1(Cc2ccccc2)CCCCC1)c1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.41
KAT6A Q92794 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.39
ALOX12 P18054 1/20 0.39
THRB P10828 1/20 0.39
HCN1 O60741 1/20 0.39
HCN4 Q9Y3Q4 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL2861400 0.86 NPC1 (0.53) NPC1RAB9ANPFFR1NPFFR2LMNA
SCHEMBL5355428 0.84 NPFFR1 (0.44) P2RX7NPC1RAB9ANPFFR1NPFFR2
SCHEMBL2857884 0.82 ALDH1A1 (0.44) NPC1RAB9ANPFFR1NPFFR2GAA
SCHEMBL2856050 0.81 SLC6A9 (0.52) P2RX7NPFFR1NPFFR2LMNAGAA
SCHEMBL5362779 0.80 NPC1 (0.43) P2RX7NPC1RAB9ANPFFR1NPFFR2
SCHEMBL2861616 0.79 LMNA (0.58) P2RX7NPC1RAB9ANPFFR1NPFFR2
SCHEMBL5351381 0.79 ALDH1A1 (0.45) NPFFR1NPFFR2LMNAGAAALDH1A1
SCHEMBL2856026 0.79 MEN1 (0.65) P2RX7MEN1KMT2AALDH1A1THRB
SCHEMBL2857262 0.78 P2RX7 (0.44) P2RX7NPFFR1NPFFR2LMNAMEN1
SCHEMBL2870655 0.77 P2RX7 (0.47) P2RX7RAB9ANPFFR1NPFFR2LMNA

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 P2RX7 930/4885NPC1 675/4885RAB9A 2415/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 P2RX7 930/4885NPC1 675/4885RAB9A 2415/4885

“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.