SCHEMBL2470869

SCHEMBL2470869

COc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3OC)(c3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.63
USP2 O75604 5/20 0.63
CYP3A4 P08684 6/20 0.58
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
TSHR P16473 3/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
OPRD1 P41143 1/20 0.49
KCNH2 Q12809 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL2469507 0.92 USP2 (0.53) CYP2D6USP2CYP3A4CHRM5CHRM3
SCHEMBL2474022 0.89 CHRM5 (0.61) CYP2D6USP2CYP3A4CHRM5CHRM3
SCHEMBL2469242 0.88 CHRM5 (0.60) CYP2D6USP2CYP3A4CHRM5CHRM3
SCHEMBL14312611 0.85 CYP2D6 (0.61) CYP2D6USP2CYP3A4TSHRKMT2A
SCHEMBL2471741 0.83 ALDH1A1 (0.48) CYP2D6USP2CYP3A4CHRM5CHRM3
SCHEMBL2471145 0.83 CHRM5 (0.77) CYP2D6USP2CYP3A4CHRM5CHRM3
SCHEMBL2468360 0.82 GRIN2B (0.48) CYP2D6CYP3A4CHRM5CHRM3TSHR
SCHEMBL2468358 0.82 GRIN2B (0.48) CYP2D6CYP3A4CHRM5CHRM3TSHR
SCHEMBL2469566 0.82 GRIN2B (0.48) CYP2D6CHRM5CHRM3TSHRKMT2A
SCHEMBL2468481 0.81 TSHR (0.57) CYP2D6CYP3A4CHRM5CHRM3TSHR

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 CYP2D6 1945/4885USP2 2057/4885CYP3A4 1607/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CYP2D6 1945/4885USP2 2057/4885CYP3A4 1607/4885

“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.