SCHEMBL2473949

SCHEMBL2473949

C/C=C/C(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 4/20 0.51
TET3 O43151 2/20 0.51
FBXL19 Q6PCT2 2/20 0.51
CXXC5 Q7LFL8 2/20 0.51
KDM2B Q8NHM5 2/20 0.51
CXXC4 Q9H2H0 2/20 0.51
KDM2A Q9Y2K7 2/20 0.51
TET1 Q8NFU7 1/20 0.51
HSD11B1 P28845 3/20 0.50
MEN1 O00255 2/20 0.48
LMNA P02545 4/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR183 P32249 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL2473952 1.00 ALDH1A1 (0.52) ALDH1A1MAPTHTTKMT2ATET3
SCHEMBL2701160 0.82 KMT2A (0.69) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL2701157 0.82 KMT2A (0.69) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL2858838 0.79 MEN1 (0.75) ALDH1A1KMT2AHSD11B1MEN1LMNA
SCHEMBL2472473 0.79 MAPT (0.56) MAPTKMT2AHSD11B1MEN1LMNA
SCHEMBL2471436 0.77 HSD11B1 (0.57) ALDH1A1KMT2AHSD11B1MEN1LMNA
SCHEMBL2472088 0.75 HSD11B1 (0.54) ALDH1A1MAPTKMT2AHSD11B1MEN1
SCHEMBL13689841 0.75 MEN1 (0.62) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL2467182 0.75 ALDH1A1 (0.58) ALDH1A1KMT2ATET3FBXL19CXXC5
SCHEMBL2470324 0.75 HTT (0.72) ALDH1A1MAPTHTTKMT2AHSD11B1

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 ALDH1A1 3941/4885MAPT 3715/4885HTT 1125/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885MAPT 3715/4885HTT 1125/4885

“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.