SCHEMBL5362779

SCHEMBL5362779

O=C(NCC1(Cc2ccccc2)CCCCC1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ITGA4 P13612 3/20 0.43
SLC6A9 P48067 3/20 0.41
CNR2 P34972 5/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
ACKR3 P25106 1/20 0.40
ITGB1 P05556 2/20 0.39
P2RX7 Q99572 1/20 0.38
TXNRD1 Q16881 1/20 0.38
GRIN2B Q13224 1/20 0.37
CNR1 P21554 2/20 0.37
HDAC4 P56524 1/20 0.37

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 0.90 NPC1 (0.53) NPC1RAB9ASLC6A9CNR2NPFFR1
SCHEMBL2856050 0.84 SLC6A9 (0.52) SLC6A9NPFFR1NPFFR2P2RX7GRIN2B
SCHEMBL2858583 0.80 P2RX7 (0.46) NPC1RAB9ACNR2NPFFR1NPFFR2
SCHEMBL2861435 0.80 SLC6A9 (0.44) SLC6A9NPFFR1NPFFR2P2RX7
SCHEMBL5355428 0.76 NPFFR1 (0.44) NPC1RAB9ANPFFR1NPFFR2P2RX7
SCHEMBL2861616 0.76 LMNA (0.58) NPC1RAB9ASLC6A9NPFFR1NPFFR2
SCHEMBL5351381 0.75 ALDH1A1 (0.45) NPFFR1NPFFR2
SCHEMBL2857884 0.74 ALDH1A1 (0.44) NPC1RAB9ASLC6A9NPFFR1NPFFR2
SCHEMBL13753145 0.73 CNR2 (0.60) NPC1RAB9AITGA4CNR2ITGB1
SCHEMBL13753076 0.73 CNR2 (0.48) NPC1RAB9AITGA4CNR2ITGB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 675/4885RAB9A 2415/4885ITGA4 4458/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 NPC1 675/4885RAB9A 2415/4885ITGA4 4458/4885

“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.