SCHEMBL2472870

SCHEMBL2472870

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.51
OPRK1 P41145 7/20 0.49
OPRM1 P35372 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XPO1 O14980 1/20 0.43
THRB P10828 1/20 0.42
OPRL1 P41146 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
TACR1 P25103 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
SCHEMBL2468904 0.91 OPRD1 (0.51) OPRD1OPRK1OPRM1SMN1; SMN2HPGD
SCHEMBL2471279 0.89 OPRD1 (0.65) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL2465356 0.89 OPRD1 (0.53) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL2469436 0.88 OPRD1 (0.53) OPRD1OPRK1OPRM1THRB
SCHEMBL2468263 0.88 OPRD1 (0.60) OPRD1OPRK1OPRM1
SCHEMBL13688445 0.88 OPRD1 (0.52) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL2473455 0.87 OPRD1 (0.53) OPRD1OPRK1OPRM1MEN1KMT2A
SCHEMBL2466761 0.87 OPRD1 (0.51) OPRD1OPRK1OPRM1
SCHEMBL2469500 0.87 OPRD1 (0.50) OPRD1OPRK1OPRM1
SCHEMBL2470572 0.87 OPRD1 (0.50) OPRD1OPRK1OPRM1

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.