SCHEMBL2467182

SCHEMBL2467182

CC=CC(=O)N1CCC(C(=O)NCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
OPRL1 P41146 5/20 0.57
OPRM1 P35372 1/20 0.56
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
KMT2A Q03164 3/20 0.47
TET3 O43151 2/20 0.47
FBXL19 Q6PCT2 2/20 0.47
CXXC5 Q7LFL8 2/20 0.47
KDM2B Q8NHM5 2/20 0.47
CXXC4 Q9H2H0 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47
TET1 Q8NFU7 1/20 0.47
OPRD1 P41143 1/20 0.46
KCNH2 Q12809 1/20 0.46
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TACR1 P25103 1/20 0.43

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
SCHEMBL2467179 1.00 ALDH1A1 (0.58) ALDH1A1OPRL1OPRM1ERCC1ERCC4
SCHEMBL2468363 0.92 CHRM5 (0.58) ALDH1A1OPRL1OPRM1KMT2ATET3
SCHEMBL2468362 0.92 CHRM5 (0.58) ALDH1A1OPRL1OPRM1KMT2ATET3
SCHEMBL13182939 0.88 ALDH1A1 (0.45) ALDH1A1OPRL1OPRM1ERCC1ERCC4
SCHEMBL2473530 0.88 CHRM5 (0.53) ALDH1A1OPRL1OPRM1KMT2ATET3
SCHEMBL13182920 0.88 CHRM5 (0.53) ALDH1A1OPRL1OPRM1KMT2ATET3
SCHEMBL2468360 0.85 GRIN2B (0.48) ALDH1A1OPRL1KMT2AOPRD1KCNH2
SCHEMBL2468358 0.85 GRIN2B (0.48) ALDH1A1OPRL1KMT2AOPRD1KCNH2
SCHEMBL10253720 0.81 CHRM5 (0.48) OPRL1OPRM1KMT2ATET3FBXL19
SCHEMBL2473441 0.81 CHRM5 (0.48) OPRL1OPRM1KMT2ATET3FBXL19

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 9 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-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 3941/4885OPRL1 1904/4885OPRM1 2850/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 ALDH1A1 3941/4885OPRL1 1904/4885OPRM1 2850/4885

“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.