SCHEMBL2470804

SCHEMBL2470804

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
ATM Q13315 1/20 0.53
EPHX2 P34913 1/20 0.49
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
DGAT2 Q96PD7 1/20 0.47
OPRD1 P41143 1/20 0.47
KCNH2 Q12809 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
STS P08842 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.43
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2468481 0.90 TSHR (0.57) TSHRALOX15ATMCHRM5CHRM3
SCHEMBL2470592 0.87 TSHR (0.58) TSHRALOX15ATMCHRM5CHRM3
SCHEMBL2469507 0.85 USP2 (0.53) TSHRCHRM5CHRM3OPRD1KCNH2
SCHEMBL2472072 0.84 ALDH1A1 (0.48) EPHX2CHRM5CHRM3OPRD1KCNH2
SCHEMBL2472775 0.84 KMT2A (0.48) CHRM5CHRM3OPRD1KCNH2TAS1R3
SCHEMBL2472772 0.84 KMT2A (0.48) CHRM5CHRM3OPRD1KCNH2TAS1R3
SCHEMBL2860469 0.82 ALDH1A1 (0.56) TSHRCHRM5CHRM3TAS1R3TAS1R1
SCHEMBL2472642 0.82 KMT2A (0.52) TSHRCHRM5CHRM3OPRD1KCNH2
SCHEMBL2468936 0.82 ALDH1A1 (0.58) ALOX15CHRM5CHRM3OPRD1KCNH2
SCHEMBL2467331 0.82 TAS1R3 (0.48) TSHRCHRM5CHRM3OPRD1KCNH2

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.