SCHEMBL2468538

SCHEMBL2468538

Cc1nc2ccccc2n1CC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.52
PDE4B Q07343 1/20 0.50
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCR5 P51681 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TNF P01375 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 2/20 0.44
GSK3B P49841 1/20 0.43
FKBP1A P62942 1/20 0.43

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
SCHEMBL2465826 0.80 HDAC6 (0.49) USP19PDE4BNPC1TDP1CCR5
SCHEMBL13182963 0.80 TNF (0.58) NPC1CCR5TNFLMNAMEN1
SCHEMBL2469345 0.78 NPC1 (0.47) USP19PDE4BNPC1TDP1CCR5
SCHEMBL8538799 0.77 PDE4B (0.53) PDE4BNPC1TDP1L3MBTL1TNF
SCHEMBL13593951 0.76 LMNA (0.47) CCR5TNFLMNATSHRHTT
SCHEMBL13182947 0.75 TNF (0.49) NPC1TNFLMNATSHRHTT
SCHEMBL3529562 0.74 CCR5 (0.73) CCR5KCNH2
SCHEMBL13543408 0.74 CCR5 (0.73) CCR5KCNH2
SCHEMBL13593949 0.73 CCR5 (0.47) CCR5LMNATSHRHTTKCNH2
SCHEMBL13593950 0.73 CCR5 (0.53) CCR5LMNAHTTKCNH2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 USP19 2124/4885PDE4B 1920/4885NPC1 989/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 USP19 2124/4885PDE4B 1920/4885NPC1 989/4885
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 USP19 3727/4885PDE4B 1939/4885NPC1 952/4885

“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.