SCHEMBL2474022

SCHEMBL2474022

COc1ccc(CNC(=O)C2(c3ccccc3)CCN(C(=O)c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.61
CHRM3 P20309 1/20 0.61
KCNH2 Q12809 2/20 0.60
OPRD1 P41143 1/20 0.60
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
CYP2D6 P10635 4/20 0.57
TSHR P16473 3/20 0.57
USP2 O75604 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.54
MAPK1 P28482 2/20 0.54
HIF1A Q16665 2/20 0.54
MAPK8 P45983 1/20 0.53
MAPK10 P53779 1/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
OPRL1 P41146 2/20 0.52

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
SCHEMBL2469242 0.99 CHRM5 (0.60) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2471145 0.89 CHRM5 (0.77) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2470869 0.89 CYP2D6 (0.63) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2469507 0.87 USP2 (0.53) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2467527 0.87 CHRM5 (0.67) CHRM5CHRM3ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2465588 0.87 KCNH2 (0.56) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL14312616 0.86 CHRM5 (0.60) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL2471447 0.85 CHRM5 (0.59) CHRM5CHRM3ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL2472097 0.85 CHRM5 (0.59) CHRM5CHRM3KCNH2OPRD1ALDH1A1
SCHEMBL14312448 0.84 CYP2D6 (0.54) ALDH1A1SMN1; SMN2CYP2D6TSHRUSP2

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 CHRM5 676/4885CHRM3 1015/4885KCNH2 2/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CHRM5 676/4885CHRM3 1015/4885KCNH2 2/4885

“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.