SCHEMBL2465408

SCHEMBL2465408

Cn1c(C2(c3ccccc3)CCN(C(=O)COc3ccc(F)cc3)CC2)nc2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.52
ADORA2B P29275 3/20 0.51
ADORA2A P29274 2/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
OPRD1 P41143 4/20 0.45
OPRK1 P41145 1/20 0.44
FKBP1A P62942 1/20 0.44
ENPP2 Q13822 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2471547 0.97 CPT1A (0.55) CPT1AADORA2BADORA2AADORA1ALDH1A1
SCHEMBL2468700 0.84 EPHX2 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1OPRD1
SCHEMBL2465403 0.82 OPRD1 (0.54) OPRD1OPRK1ENPP2
SCHEMBL2469399 0.76 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL13593964 0.74 PKM (0.37) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL13593972 0.72 OPRD1 (0.37) ALDH1A1SMN1; SMN2OPRD1OPRK1
SCHEMBL13593968 0.71 OPRD1 (0.36) ALDH1A1LMNAOPRD1OPRK1GAA
SCHEMBL13593966 0.70 OPRD1 (0.35) OPRD1OPRK1
SCHEMBL1730431 0.69 FKBP1A (0.79) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL15134808 0.68 L3MBTL1 (0.70) ALDH1A1SMN1; SMN2LMNAKMT2APOLB

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 12 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-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 CPT1A 2659/4885ADORA2B 4256/4885ADORA2A 2456/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CPT1A 2659/4885ADORA2B 4256/4885ADORA2A 2456/4885

“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.