SCHEMBL2467174

SCHEMBL2467174

C=CCn1nnc(C2(c3ccccc3)CCN(C(=O)OCC)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.49
OPRK1 P41145 8/20 0.48
OPRM1 P35372 2/20 0.48
TET3 O43151 3/20 0.44
KMT2A Q03164 3/20 0.44
FBXL19 Q6PCT2 3/20 0.44
TET1 Q8NFU7 3/20 0.44
KDM2B Q8NHM5 3/20 0.44
CXXC4 Q9H2H0 3/20 0.44
KDM2A Q9Y2K7 3/20 0.44
CXXC5 Q7LFL8 2/20 0.44
APP P05067 2/20 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 0.86 OPRD1 (0.60) OPRD1OPRK1OPRM1APP
SCHEMBL2468057 0.86 OPRD1 (0.50) OPRD1OPRK1OPRM1KMT2AAPP
SCHEMBL2468270 0.84 OPRD1 (0.48) OPRD1OPRK1OPRM1KMT2AAPP
SCHEMBL2469513 0.83 OPRD1 (0.50) OPRD1OPRK1OPRM1APP
SCHEMBL2491525 0.83 OPRD1 (0.55) OPRD1OPRK1OPRM1KMT2AAPP
SCHEMBL2472605 0.82 OPRD1 (0.54) OPRD1OPRK1OPRM1APP
SCHEMBL13594306 0.82 OPRD1 (0.62) OPRD1OPRK1OPRM1KMT2AAPP
SCHEMBL2469431 0.82 ALDH1A1 (0.53) OPRD1OPRK1OPRM1APP
SCHEMBL2471200 0.82 OPRD1 (0.53) OPRD1OPRK1OPRM1APP
SCHEMBL2471534 0.82 KDM4E (0.53) OPRD1OPRK1OPRM1KMT2A

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.