SCHEMBL2473439

SCHEMBL2473439

O=C(OCc1ccccc1)N1CCC(C(=O)NCCc2ccccn2)(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.49
OPRK1 P41145 1/20 0.49
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
GRIN2B Q13224 3/20 0.47
HSD11B1 P28845 1/20 0.45
KCNA5 P22460 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNA3 P22001 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL2471682 0.90 OPRD1 (0.51) OPRD1OPRK1HDAC3HDAC1HDAC2
SCHEMBL5372999 0.88 CHRM5 (0.60) OPRD1OPRK1CHRM5CHRM3HDAC3
SCHEMBL2469396 0.84 ALDH1A1 (0.50) CHRM5CHRM3GRIN2BHSD11B1ALDH1A1
SCHEMBL2467145 0.82 ALDH1A1 (0.61) OPRD1OPRK1HDAC3HDAC1HDAC2
SCHEMBL2468207 0.81 ALDH1A1 (0.60) OPRD1OPRK1HDAC3HDAC1HDAC2
SCHEMBL2468544 0.81 CHRM5 (0.50) OPRD1OPRK1CHRM5CHRM3HDAC3
SCHEMBL2465814 0.79 CHRM5 (0.48) OPRD1OPRK1CHRM5CHRM3HDAC3
SCHEMBL4631143 0.78 OPRD1 (0.53) OPRD1OPRK1HDAC3HDAC1HDAC2
SCHEMBL2471574 0.78 GRIN2B (0.53) OPRD1OPRK1HDAC3HDAC1HDAC2
SCHEMBL2472460 0.78 MEN1 (0.57) CHRM5CHRM3ALDH1A1MEN1KMT2A

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-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-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 OPRD1 2240/4885OPRK1 513/4885CHRM5 676/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRD1 2240/4885OPRK1 513/4885CHRM5 676/4885

“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.