SCHEMBL2861400

SCHEMBL2861400

O=C(NCC1(Cc2ccccc2)CCCCC1)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SLC6A9 P48067 5/20 0.48
NPFFR1 Q9GZQ6 3/20 0.46
NPFFR2 Q9Y5X5 3/20 0.46
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40
CNR2 P34972 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRB2 P07550 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
SCHEMBL5362779 0.90 NPC1 (0.43) NPC1RAB9ASLC6A9NPFFR1NPFFR2
SCHEMBL2858583 0.86 P2RX7 (0.46) NPC1RAB9ANPFFR1NPFFR2LMNA
SCHEMBL5355428 0.82 NPFFR1 (0.44) NPC1RAB9ANPFFR1NPFFR2LMNA
SCHEMBL2861616 0.82 LMNA (0.58) NPC1RAB9ASLC6A9NPFFR1NPFFR2
SCHEMBL5351381 0.81 ALDH1A1 (0.45) NPFFR1NPFFR2LMNASMN1; SMN2L3MBTL1
SCHEMBL2857884 0.81 ALDH1A1 (0.44) NPC1RAB9ASLC6A9NPFFR1NPFFR2
SCHEMBL2853482 0.77 MEN1 (0.55) NPC1RAB9ASLC6A9NPFFR1NPFFR2
SCHEMBL2877082 0.77 NPFFR1 (0.56) NPFFR1NPFFR2LMNAOPRK1ALDH1A1
SCHEMBL2856050 0.77 SLC6A9 (0.52) SLC6A9NPFFR1NPFFR2LMNAALDH1A1
SCHEMBL5462309 0.77 TP53 (0.62) NPC1RAB9ANPFFR1NPFFR2LMNA

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 675/4885RAB9A 2415/4885SLC6A9 1701/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 NPC1 675/4885RAB9A 2415/4885SLC6A9 1701/4885

“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.