SCHEMBL5350707

SCHEMBL5350707

O=[N+]([O-])c1cccnc1NCC1(c2ccccc2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 3/20 0.54
PKM P14618 1/20 0.49
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
SLC6A4 P31645 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
P2RX7 Q99572 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL2861083 0.79 KDM4E (0.60) KDM4EDPP4SLC6A4MEN1KMT2A
SCHEMBL2868996 0.77 KDM4E (0.58) KDM4EDPP4SLC6A4MEN1KMT2A
SCHEMBL2860296 0.76 KDM4E (0.56) KDM4EDPP4SLC6A4MEN1KMT2A
SCHEMBL1738419 0.75 NPC1 (0.74) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL31631301 0.75 NPC1 (0.74) KDM4ENPC1RAB9AMAPTPKM
SCHEMBL13067048 0.75 KDM4E (0.70) KDM4EDPP4SLC6A4MEN1KMT2A
SCHEMBL6357432 0.73 BDKRB1 (0.58) NPC1RAB9AMAPTPKMDPP4
SCHEMBL2867705 0.73 KDM4E (0.56) KDM4EDPP4SLC6A4MEN1KMT2A
SCHEMBL3277211 0.72 LTA4H (0.50) NPC1MAPTPKMCYP1A2CYP2C19
SCHEMBL13067056 0.72 HTT (0.55) KDM4ESLC6A4MEN1KMT2ALMNA

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 12 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
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
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 820/4885NPC1 675/4885RAB9A 2415/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 KDM4E 820/4885NPC1 675/4885RAB9A 2415/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 KDM4E 1323/4885NPC1 587/4885RAB9A 2296/4885

“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.