SCHEMBL2472465

SCHEMBL2472465

CCN(C(=O)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 2/20 0.41
NOS2 P35228 1/20 0.40
OPRM1 P35372 3/20 0.39
KDM1A O60341 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL14085903 0.78 SMN1; SMN2 (0.51) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL3555689 0.78 MEN1 (0.49) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2467789 0.77 KMT2A (0.58) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2471572 0.76 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL4631071 0.76 MEN1 (0.49) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL2473443 0.76 OPRD1 (0.49) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL1337663 0.75 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14095609 0.75 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16639868 0.75 SMN1; SMN2 (0.59) MEN1KMT2ANPSR1OPRD1OPRK1
SCHEMBL3901930 0.75 OPRD1 (0.56) MEN1KMT2ANPSR1OPRD1OPRK1

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 8 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-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 MEN1 3501/4885KMT2A 957/4885NPSR1 2596/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 MEN1 3501/4885KMT2A 957/4885NPSR1 2596/4885

“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.