SCHEMBL2469396

SCHEMBL2469396

O=C(CCc1ccccc1)N1CCC(C(=O)NCCc2ccccn2)(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
HSD11B1 P28845 1/20 0.47
GRIN2B Q13224 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 2/20 0.45
FPR3 P25089 1/20 0.43
FKBP1A P62942 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAAA Q02083 1/20 0.42
NR3C2 P08235 1/20 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
SCHEMBL13688315 0.88 CHRM5 (0.60) ALDH1A1CHRM5CHRM3TDP1NPC1
SCHEMBL14312756 0.84 ALDH1A1 (0.48) ALDH1A1HSD11B1GRIN2BTDP1HPGD
SCHEMBL2473439 0.84 OPRD1 (0.49) ALDH1A1CHRM5CHRM3HSD11B1GRIN2B
SCHEMBL2469668 0.80 PLAAT3 (0.54) ALDH1A1CHRM5CHRM3TDP1HPGD
SCHEMBL12194770 0.80 GFER (0.53) CHRM5CHRM3TDP1NPC1RAB9A
SCHEMBL2471157 0.79 GFER (0.52) CHRM5CHRM3TDP1NPC1RAB9A
SCHEMBL2471846 0.78 CHRM5 (0.50) ALDH1A1CHRM5CHRM3MEN1KMT2A
SCHEMBL2469930 0.78 GRIN2B (0.53) ALDH1A1CHRM5CHRM3GRIN2BTDP1
SCHEMBL2471734 0.78 EPHX2 (0.53) CHRM5CHRM3MEN1KMT2ASMN1; SMN2
SCHEMBL2465555 0.78 FKBP1A (0.57) ALDH1A1CHRM5CHRM3TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885CHRM5 676/4885CHRM3 1015/4885

“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.