SCHEMBL2858307

SCHEMBL2858307

O=C(Nc1nccc2ccccc12)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.57
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ELOVL1 Q9BW60 1/20 0.41
HDAC1 Q13547 3/20 0.41
CFTR P13569 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC4 P56524 2/20 0.40
CNR2 P34972 1/20 0.39
PHGDH O43175 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 0.88 HTT (0.57) ALDH1A1HTTITGB1ITGA4LMNA
SCHEMBL2864732 0.82 P2RX7 (0.55) P2RX7ALDH1A1HTTITGB1ITGA4
SCHEMBL2857749 0.81 ALDH1A1 (0.51) ALDH1A1HTTITGB1ITGA4LMNA
SCHEMBL13593943 0.77 HDAC1 (0.50) ALDH1A1HTTITGB1ITGA4LMNA
SCHEMBL2858169 0.76 SLC6A4 (0.54) P2RX7
SCHEMBL5366031 0.75 HTT (0.60) ALDH1A1HTTITGB1ITGA4LMNA
SCHEMBL13593944 0.73 ALDH1A1 (0.51) ALDH1A1HTTLMNAKMT2ACNR2
SCHEMBL5923743 0.73 P2RX7 (1.00) P2RX7LMNANPSR1MEN1KMT2A
SCHEMBL2879234 0.72 CNR2 (0.42) ALDH1A1ITGB1ITGA4KMT2ACNR2
SCHEMBL25460820 0.71 HDAC4 (0.55) P2RX7ALDH1A1LMNANPSR1ELOVL1

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 P2RX7 930/4885ALDH1A1 4075/4885HTT 1708/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 P2RX7 930/4885ALDH1A1 4075/4885HTT 1708/4885

“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.