SCHEMBL2467331

SCHEMBL2467331

COc1ccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)c3ccccc3F)CC2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
OPRD1 P41143 1/20 0.46
KCNH2 Q12809 1/20 0.46
CPS1 P31327 2/20 0.44
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 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
SCHEMBL2471741 0.90 ALDH1A1 (0.48) CHRM5CHRM3ALDH1A1PKMHPGD
SCHEMBL2469507 0.87 USP2 (0.53) TAS1R3TAS1R1CHRM5CHRM3OPRD1
SCHEMBL2465588 0.87 KCNH2 (0.56) CHRM5CHRM3OPRD1KCNH2CPS1
SCHEMBL14312471 0.86 TAS1R3 (0.46) TAS1R3TAS1R1CPS1HSP90AA1ALDH1A1
SCHEMBL2470408 0.83 KDM4E (0.57) TAS1R3TAS1R1CHRM5CHRM3OPRD1
SCHEMBL2472072 0.83 ALDH1A1 (0.48) TAS1R3TAS1R1CHRM5CHRM3OPRD1
SCHEMBL2472772 0.82 KMT2A (0.48) TAS1R3TAS1R1CHRM5CHRM3OPRD1
SCHEMBL2470804 0.82 TSHR (0.53) TAS1R3TAS1R1CHRM5CHRM3OPRD1
SCHEMBL2472775 0.82 KMT2A (0.48) TAS1R3TAS1R1CHRM5CHRM3OPRD1
SCHEMBL2469415 0.82 CHRM5 (0.70) CHRM5CHRM3OPRD1KCNH2ALDH1A1

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 13 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-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 TAS1R3 2469/4885TAS1R1 2246/4885CHRM5 676/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 TAS1R3 2469/4885TAS1R1 2246/4885CHRM5 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.