SCHEMBL2468481

SCHEMBL2468481

COc1ccccc1CNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
ALOX15 P16050 1/20 0.57
ATM Q13315 1/20 0.57
CYP2D6 P10635 3/20 0.50
GRIN2B Q13224 1/20 0.48
CYP3A4 P08684 1/20 0.46
OPRL1 P41146 1/20 0.46
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44

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
SCHEMBL2470804 0.90 TSHR (0.53) TSHRALOX15ATMOPRL1CHRM5
SCHEMBL2470131 0.85 TSHR (0.64) TSHRALOX15ATMOPRL1HSD17B10
SCHEMBL2470592 0.85 TSHR (0.58) TSHRALOX15ATMOPRL1CHRM5
SCHEMBL2470899 0.84 OPRL1 (0.61) TSHRALOX15ATMOPRL1HSD17B10
SCHEMBL2468358 0.83 GRIN2B (0.48) TSHRCYP2D6GRIN2BCYP3A4OPRL1
SCHEMBL2469566 0.83 GRIN2B (0.48) TSHRALOX15CYP2D6GRIN2BCHRM5
SCHEMBL2468360 0.83 GRIN2B (0.48) TSHRCYP2D6GRIN2BCYP3A4OPRL1
SCHEMBL2470869 0.81 CYP2D6 (0.63) TSHRCYP2D6CYP3A4CHRM5CHRM3
SCHEMBL2856031 0.81 L3MBTL1 (0.62) TSHRGRIN2BHPGDITGA4ITGB7
SCHEMBL10253931 0.80 GRIN2B (0.46) TSHRCYP2D6GRIN2BCYP3A4OPRL1

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 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
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.