SCHEMBL2473455

SCHEMBL2473455

CCOC(=O)N1CCC(c2ccccc2)(c2nnn(Cc3cccc(Cl)c3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.53
OPRK1 P41145 9/20 0.53
OPRM1 P35372 1/20 0.53
APP P05067 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2468263 0.93 OPRD1 (0.60) OPRD1OPRK1OPRM1APP
SCHEMBL2465356 0.91 OPRD1 (0.53) OPRD1OPRK1OPRM1CHRM2CHRM3
SCHEMBL2472605 0.91 OPRD1 (0.54) OPRD1OPRK1OPRM1APPALDH1A1
SCHEMBL13688445 0.90 OPRD1 (0.52) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL2471279 0.89 OPRD1 (0.65) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL2466761 0.89 OPRD1 (0.51) OPRD1OPRK1OPRM1KDM4ENPSR1
SCHEMBL2702980 0.89 OPRD1 (0.51) OPRD1OPRK1OPRM1APPKDM4E
SCHEMBL2465745 0.89 OPRD1 (0.65) OPRD1OPRK1OPRM1APPMEN1
SCHEMBL2491525 0.88 OPRD1 (0.55) OPRD1OPRK1OPRM1APPMEN1
SCHEMBL13594306 0.87 OPRD1 (0.62) OPRD1OPRK1OPRM1APPKMT2A

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 10 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
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-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 OPRD1 2240/4885OPRK1 513/4885OPRM1 2850/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 OPRD1 2240/4885OPRK1 513/4885OPRM1 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.