SCHEMBL2864732

SCHEMBL2864732

O=C(Nc1nccc2ccccc12)C1(c2ccccc2F)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
HDAC4 P56524 4/20 0.53
ELOVL1 Q9BW60 10/20 0.46
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 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
SCHEMBL2861545 0.84 HTT (0.57) HDAC4ALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL2858307 0.82 P2RX7 (0.57) P2RX7HDAC4ELOVL1ALDH1A1NPSR1
SCHEMBL2857749 0.78 ALDH1A1 (0.51) HDAC4ELOVL1ALDH1A1NPSR1HTT
SCHEMBL2867553 0.75 SLC6A3 (0.48) P2RX7HDAC4
SCHEMBL13593943 0.73 HDAC1 (0.50) HDAC4ELOVL1ALDH1A1NPSR1HTT
SCHEMBL5366031 0.71 HTT (0.60) HDAC4ALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL5923600 0.71 P2RX7 (1.00) P2RX7HDAC4SMN1; SMN2
SCHEMBL16132889 0.71 HDAC4 (1.00) HDAC4
SCHEMBL29825764 0.69 FDPS (0.54) ALDH1A1CNR2
SCHEMBL7599559 0.69 FDPS (0.54) ALDH1A1CNR2

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 930/4885HDAC4 1442/4885ELOVL1 1086/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 P2RX7 930/4885HDAC4 1442/4885ELOVL1 1086/4885

“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.