SCHEMBL2864514

SCHEMBL2864514

NCCC1(c2ccccc2)CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.68
SLC6A4 P31645 6/20 0.58
SLC6A3 Q01959 6/20 0.58
SLC6A2 P23975 2/20 0.58
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
Hydrochloric Acid SCHEMBL10669389 0.98 DPP4 (0.66) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL10208913 0.98 DPP4 (0.70) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL29374849 0.90 MAOA (0.68) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL5087057 0.89 SLC6A3 (0.75) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL294761 0.83 DPP4 (0.96) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL15602643 0.82 DPP4 (0.50) DPP4SLC6A4SLC6A3SLC6A2MAOA
Hydrochloric Acid SCHEMBL3520274 0.82 DPP4 (0.92) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL294582 0.81 DPP4 (1.00) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL15577184 0.81 MAOA (0.52) DPP4SLC6A4SLC6A3SLC6A2MAOA
SCHEMBL15577225 0.81 MAOA (0.52) DPP4MAOAMAOBTAAR1

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 15 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
CN-101704810-A Cycloalkyl inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO 2010-05-12 CN disclosed
CN-100558697-C Cycloalkyl inhibitors of potassium channel function SQUIBB BRISTOL MYERS CO ICAGEN (US) 2009-11-11 CN 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
CN-1732146-A Cycloalkyl inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2006-02-08 CN disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 US disclosed
EP-1507504-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-23 EP disclosed
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 US disclosed
WO-2003063797-A2 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-07 WO 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 DPP4 2095/4885SLC6A4 1950/4885SLC6A3 2504/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 DPP4 2095/4885SLC6A4 1950/4885SLC6A3 2504/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 DPP4 2381/4885SLC6A4 1539/4885SLC6A3 1951/4885

“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.