SCHEMBL2861083

SCHEMBL2861083

Nc1cccnc1NCC1(c2ccccc2)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
SLC6A4 P31645 4/20 0.50
DPP4 P27487 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
P2RX7 Q99572 1/20 0.43
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 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
SCHEMBL2868996 0.82 KDM4E (0.58) KDM4ESLC6A4DPP4S1PR1S1PR3
SCHEMBL2860296 0.81 KDM4E (0.56) KDM4ESLC6A4DPP4S1PR1S1PR3
SCHEMBL13067048 0.80 KDM4E (0.70) KDM4ESLC6A4DPP4S1PR1SLC6A2
SCHEMBL5350707 0.79 KDM4E (0.54) KDM4ESLC6A4DPP4P2RX7LMNA
SCHEMBL2867705 0.77 KDM4E (0.56) KDM4ESLC6A4DPP4SLC6A2SLC6A3
SCHEMBL2857115 0.75 EGFR (0.56) KDM4ESLC6A4LMNASMN1; SMN2NPSR1
SCHEMBL13067056 0.74 HTT (0.55) KDM4ESLC6A4P2RX7LMNASMN1; SMN2
SCHEMBL31065718 0.74 KDM4E (0.55) KDM4ESLC6A4DPP4SLC6A2SLC6A3
SCHEMBL6285864 0.71 BACE1 (0.65) KDM4ELMNASMN1; SMN2NPSR1TSHR
SCHEMBL31631318 0.71 BACE1 (0.65) KDM4ELMNASMN1; SMN2NPSR1TSHR

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 10 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
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 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 (3 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 1950/4885DPP4 2095/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KDM4E 820/4885SLC6A4 1950/4885DPP4 2095/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 KDM4E 1323/4885SLC6A4 1539/4885DPP4 2381/4885

“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.