SCHEMBL2468907

SCHEMBL2468907

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
OPRL1 P41146 4/20 0.58
OPRM1 P35372 6/20 0.57
OPRD1 P41143 6/20 0.52
OPRK1 P41145 4/20 0.52
KCNH2 Q12809 3/20 0.52
SLC22A1 O15245 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
KCNA3 P22001 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
APP P05067 1/20 0.48

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
SCHEMBL2468207 0.91 ALDH1A1 (0.60) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL2470131 0.86 TSHR (0.64) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL2470472 0.85 OPRL1 (0.56) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL2498809 0.84 ALDH1A1 (0.59) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL2472256 0.83 ALDH1A1 (0.60) ALDH1A1OPRL1OPRM1OPRD1KCNH2
SCHEMBL2493540 0.83 TACR1 (0.53) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL10254438 0.82 ALDH1A1 (0.58) ALDH1A1OPRL1OPRM1OPRD1KCNH2
SCHEMBL4913158 0.82 ALDH1A1 (0.67) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL2467971 0.81 ALDH1A1 (0.49) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL2471327 0.80 ALDH1A1 (0.45) ALDH1A1OPRL1OPRM1OPRD1OPRK1

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 17 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 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
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
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP 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
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO 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 (3 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
US-20040110793-A1 Heterocyclo inhibitors of potassium channel function KCNH2, KCNN1, KCNJ2 ALDH1A1 3045/4885OPRL1 2002/4885OPRM1 1791/4885

“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.