SCHEMBL2867553

SCHEMBL2867553

Fc1ccccc1C1(CNc2nccc3ccccc23)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A2 P23975 3/20 0.48
USP30 Q70CQ3 1/20 0.40
KDM4E B2RXH2 1/20 0.37
P2RX7 Q99572 1/20 0.37
FDPS P14324 1/20 0.34
ESR1 P03372 1/20 0.34
HDAC4 P56524 1/20 0.34
DRD2 P14416 3/20 0.34
ADRA1A P35348 3/20 0.34
DRD3 P35462 3/20 0.34
HRH4 Q9H3N8 3/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2867705 0.83 KDM4E (0.56) SLC6A3SLC6A4SLC6A2USP30KDM4E
SCHEMBL2858169 0.81 SLC6A4 (0.54) SLC6A3SLC6A4SLC6A2USP30KDM4E
SCHEMBL2861663 0.76 KDM4E (0.49) SLC6A4USP30KDM4EFDPSDRD2
SCHEMBL2864732 0.75 P2RX7 (0.55) P2RX7HDAC4
SCHEMBL2861506 0.72 USP30 (0.38) SLC6A3SLC6A4SLC6A2USP30FDPS
SCHEMBL2469907 0.71 KDM4E (0.44) SLC6A4USP30KDM4EFDPSDRD2
SCHEMBL13066487 0.71 USP30 (0.39) SLC6A3SLC6A4SLC6A2USP30FDPS
SCHEMBL13066448 0.70 KCNA3 (0.44) SLC6A3SLC6A4USP30KDM4EFDPS
SCHEMBL14491679 0.69 USP30 (0.42) SLC6A4USP30KDM4EFDPSDRD2
SCHEMBL14491593 0.69 SLC6A4 (0.44) SLC6A3SLC6A4USP30KDM4EP2RX7

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 SLC6A3 2504/4885SLC6A4 1950/4885SLC6A2 2579/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 SLC6A3 2504/4885SLC6A4 1950/4885SLC6A2 2579/4885

“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.