SCHEMBL2493036

SCHEMBL2493036

CC(c1nc2ccccc2[nH]1)C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.56
ENPP2 Q13822 2/20 0.46
ATXN2 Q99700 2/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KMT2A Q03164 2/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
CCR5 P51681 1/20 0.44
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL2465827 0.83 KMT2A (0.45) KMT2ANPC1MAPK1TDP1
SCHEMBL2471729 0.80 GRIN2B (0.59) GRIN2BENPP2ATXN2OPRD1OPRK1
SCHEMBL2702761 0.78 GRIN2B (0.66) GRIN2BENPP2ATXN2OPRD1OPRK1
SCHEMBL9130527 0.73 AAK1 (0.59) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL9130537 0.73 AAK1 (0.59) KMT2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL2307512 0.72 GRIN2B (0.72) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13690026 0.72 MEN1 (0.58) GRIN2BENPP2ATXN2OPRD1OPRK1
SCHEMBL934263 0.71 MEN1 (0.64) GRIN2BENPP2ATXN2OPRD1OPRK1
SCHEMBL19764429 0.71 MEN1 (0.54) GRIN2BENPP2ATXN2OPRD1OPRK1
SCHEMBL16980454 0.71 MEN1 (0.57) GRIN2BENPP2ATXN2OPRD1OPRK1

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 GRIN2B 780/4885ENPP2 1608/4885ATXN2 932/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GRIN2B 780/4885ENPP2 1608/4885ATXN2 932/4885

“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.