SCHEMBL2467204

SCHEMBL2467204

COc1ccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
OPRD1 P41143 1/20 0.56
CHRM5 P08912 1/20 0.56
CHRM3 P20309 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
OPRL1 P41146 4/20 0.53
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
NPY1R P25929 1/20 0.47
OPRM1 P35372 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2469618 0.91 OPRL1 (0.59) ALDH1A1OPRL1KMT2AMEN1OPRM1
SCHEMBL2473234 0.90 CHRM5 (0.70) KCNH2OPRD1CHRM5CHRM3L3MBTL1
SCHEMBL2470408 0.88 KDM4E (0.57) KCNH2OPRD1CHRM5CHRM3L3MBTL1
SCHEMBL2470391 0.87 KDM4E (0.54) CHRM5CHRM3L3MBTL1ALDH1A1OPRL1
SCHEMBL2474281 0.87 KCNH2 (0.57) KCNH2OPRD1CHRM5CHRM3L3MBTL1
SCHEMBL14312447 0.86 L3MBTL1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2471938 0.85 OPRD1 (0.54) KCNH2OPRD1CHRM5CHRM3ALDH1A1
SCHEMBL2472097 0.85 CHRM5 (0.59) KCNH2OPRD1CHRM5CHRM3ALDH1A1
SCHEMBL2474022 0.83 CHRM5 (0.61) KCNH2OPRD1CHRM5CHRM3ALDH1A1
SCHEMBL2468021 0.82 CHRM5 (0.48) CHRM5CHRM3L3MBTL1SMN1; SMN2OPRL1

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 KCNH2 2/4885OPRD1 2240/4885CHRM5 676/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KCNH2 2/4885OPRD1 2240/4885CHRM5 676/4885

“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.