SCHEMBL2860296

SCHEMBL2860296

c1ccc(C2(CNc3nccc4cccnc34)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
SLC6A4 P31645 4/20 0.47
P2RX7 Q99572 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
LMNA P02545 4/20 0.39
S1PR1 P21453 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
S1PR3 Q99500 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP4 P27487 1/20 0.38

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 0.85 KDM4E (0.56) KDM4ESLC6A4TSHRHTTSLC6A2
SCHEMBL2861083 0.81 KDM4E (0.60) KDM4ESLC6A4P2RX7TSHRHTT
SCHEMBL2868996 0.79 KDM4E (0.58) KDM4ESLC6A4P2RX7SLC6A2SLC6A3
SCHEMBL2861663 0.78 KDM4E (0.49) KDM4ESLC6A4LMNAMEN1KMT2A
SCHEMBL13067048 0.77 KDM4E (0.70) KDM4ESLC6A4P2RX7TSHRHTT
SCHEMBL5350707 0.76 KDM4E (0.54) KDM4ESLC6A4P2RX7LMNAMEN1
SCHEMBL5366031 0.74 HTT (0.60) HTTLMNAMEN1KMT2AL3MBTL1
SCHEMBL2858169 0.73 SLC6A4 (0.54) KDM4ESLC6A4P2RX7SLC6A2SLC6A3
SCHEMBL2469907 0.72 KDM4E (0.44) KDM4ESLC6A4
SCHEMBL13066448 0.72 KCNA3 (0.44) KDM4ESLC6A4SLC6A3MEN1KMT2A

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 KDM4E 820/4885SLC6A4 1950/4885P2RX7 930/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KDM4E 820/4885SLC6A4 1950/4885P2RX7 930/4885

“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.