SCHEMBL2473049

SCHEMBL2473049

COc1ccc(CCNC(=O)C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.73
CHRM3 P20309 5/20 0.73
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
ATM Q13315 1/20 0.56
CHRM1 P11229 4/20 0.53
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
OPRD1 P41143 1/20 0.47
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
SLC2A1 P11166 1/20 0.46
FPR2 P25090 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2470592 0.90 TSHR (0.58) CHRM5CHRM3TSHRALOX15ATM
SCHEMBL2495108 0.87 TSHR (0.59) CHRM5CHRM3TSHRALOX15ATM
SCHEMBL2471145 0.85 CHRM5 (0.77) CHRM5CHRM3TSHRCHRM1SMN1; SMN2
SCHEMBL378416 0.84 TSHR (0.50) CHRM5CHRM3TSHRALOX15ATM
SCHEMBL3923220 0.84 SMN1; SMN2 (0.51) CHRM5CHRM3CHRM1LMNAMAPT
SCHEMBL13593900 0.83 CHRM5 (0.74) CHRM5CHRM3CHRM1LMNAOPRD1
SCHEMBL2470119 0.83 TSHR (0.59) CHRM5CHRM3TSHRALOX15ATM
SCHEMBL6543328 0.83 TSHR (0.61) CHRM5CHRM3TSHRALOX15ATM
SCHEMBL2471608 0.82 CHRM5 (0.73) CHRM5CHRM3CHRM1LMNAOPRD1
SCHEMBL13593903 0.82 CHRM5 (0.73) CHRM5CHRM3CHRM1LMNAOPRD1

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 CHRM5 676/4885CHRM3 1015/4885TSHR 2555/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CHRM5 676/4885CHRM3 1015/4885TSHR 2555/4885

“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.