SCHEMBL2473648

SCHEMBL2473648

O=C(CCc1ccccc1)N1CCC(C(=O)NC2CCc3ccccc32)(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.49
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX1 P07099 1/20 0.42
FKBP1A P62942 1/20 0.42
KDM1A O60341 1/20 0.42
C3AR1 Q16581 1/20 0.42
NAAA Q02083 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRIN2B Q13224 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL2467137 0.94 EPHX2 (0.46) EPHX2GAAPKMPOLBEPHX1
SCHEMBL10254950 0.91 EPHX2 (0.48) EPHX2GAAPKMEPHX1ALDH1A1
SCHEMBL2519479 0.90 GAA (0.49) EPHX2GAAPKMMEN1KMT2A
SCHEMBL10253576 0.86 EPHX2 (0.43) EPHX2EPHX1MEN1KMT2A
SCHEMBL14312415 0.84 EPHX2 (0.47) EPHX2GAAPKMPOLBNPC1
SCHEMBL2467587 0.83 KDM1A (0.48) EPHX2NPC1EPHX1KDM1AMEN1
SCHEMBL2473644 0.83 NPC1 (0.49) EPHX2POLBNPC1TDP1FKBP1A
SCHEMBL2473418 0.82 NPC1 (0.44) EPHX2POLBNPC1TDP1FKBP1A
SCHEMBL13183014 0.82 NPC1 (0.44) EPHX2POLBNPC1TDP1FKBP1A
SCHEMBL2471495 0.81 ALDH1A1 (0.58) EPHX2POLBNPC1TDP1EPHX1

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 16 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 claimed
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-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
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US 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

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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 EPHX2 3772/4885GAA 3999/4885PKM 675/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 EPHX2 3772/4885GAA 3999/4885PKM 675/4885

“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.