SCHEMBL2465356

SCHEMBL2465356

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 15/20 0.53
OPRK1 P41145 8/20 0.52
OPRM1 P35372 1/20 0.52
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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 0.92 OPRD1 (0.60) OPRD1OPRK1OPRM1
SCHEMBL13688445 0.92 OPRD1 (0.52) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL2473455 0.91 OPRD1 (0.53) OPRD1OPRK1OPRM1CHRM2CHRM3
SCHEMBL2471279 0.91 OPRD1 (0.65) OPRD1OPRK1OPRM1ALDH1A1MEN1
SCHEMBL2466761 0.91 OPRD1 (0.51) OPRD1OPRK1OPRM1KDM4ENPSR1
SCHEMBL2465745 0.90 OPRD1 (0.65) OPRD1OPRK1OPRM1ALDH1A1L3MBTL1
SCHEMBL2491525 0.90 OPRD1 (0.55) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL4044293 0.89 OPRD1 (0.47) OPRD1OPRK1OPRM1
SCHEMBL2472870 0.89 OPRD1 (0.51) OPRD1OPRK1OPRM1ALDH1A1HPGD
SCHEMBL2703630 0.88 OPRD1 (0.49) OPRD1OPRK1OPRM1MEN1KMT2A

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 11 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-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.