SCHEMBL2470592

SCHEMBL2470592

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALOX15 P16050 1/20 0.58
ATM Q13315 1/20 0.58
KCNH2 Q12809 2/20 0.58
CHRM5 P08912 2/20 0.58
CHRM3 P20309 2/20 0.58
OPRD1 P41143 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 3/20 0.55
OPRL1 P41146 3/20 0.54
TP53 P04637 3/20 0.51
NPY1R P25929 1/20 0.49
OPRM1 P35372 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM1 P11229 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 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
SCHEMBL2470131 0.93 TSHR (0.64) TSHRALOX15ATMKCNH2OPRD1
SCHEMBL2473049 0.90 CHRM5 (0.73) TSHRALOX15ATMKCNH2CHRM5
SCHEMBL2470899 0.89 OPRL1 (0.61) TSHRALOX15ATMKCNH2OPRD1
SCHEMBL2470804 0.87 TSHR (0.53) TSHRALOX15ATMKCNH2CHRM5
SCHEMBL2468481 0.85 TSHR (0.57) TSHRALOX15ATMCHRM5CHRM3
SCHEMBL2474022 0.84 CHRM5 (0.61) TSHRKCNH2CHRM5CHRM3OPRD1
SCHEMBL2470755 0.84 TSHR (0.56) TSHRALOX15ATMOPRD1ALDH1A1
SCHEMBL2469242 0.83 CHRM5 (0.60) TSHRKCNH2CHRM5CHRM3OPRD1
SCHEMBL14312616 0.83 CHRM5 (0.60) KCNH2CHRM5CHRM3OPRD1SMN1; SMN2
SCHEMBL2472097 0.82 CHRM5 (0.59) KCNH2CHRM5CHRM3OPRD1SMN1; SMN2

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 TSHR 2555/4885ALOX15 2580/4885ATM 2815/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 TSHR 2555/4885ALOX15 2580/4885ATM 2815/4885

“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.