SCHEMBL2472273

SCHEMBL2472273

O=C(CC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1)Nc1nncs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.58
POLB P06746 3/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
MCHR1 Q99705 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR5 P51681 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL2471552 0.85 GRIN2B (0.58) GRIN2BKDM4EHDAC3HDAC1HDAC2
SCHEMBL2470005 0.83 MAPT (0.54) POLBKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2468633 0.82 PKM (0.52) POLBKDM4EHDAC3HDAC1HDAC2
SCHEMBL2468014 0.81 CSNK1D (0.54) POLBKDM4EHDAC3HDAC1HDAC2
SCHEMBL2469385 0.80 HDAC3 (0.46) GRIN2BCYP2C19CYP2D6CYP2C9HDAC3
SCHEMBL2472042 0.79 OPRK1 (0.46) GRIN2BCYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL2469375 0.79 HDAC3 (0.46) GRIN2BCYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL2469454 0.79 CA1 (0.53) GRIN2BCYP2C19HDAC3HDAC1HDAC2
SCHEMBL13594318 0.78 OPRK1 (0.49) GRIN2BCYP2C19CYP2D6CYP2C9HDAC3
SCHEMBL2468671 0.78 MEN1 (0.56) GRIN2BCYP2C19HDAC3HDAC1HDAC2

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 GRIN2B 780/4885POLB 4413/4885CYP2C19 3045/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GRIN2B 780/4885POLB 4413/4885CYP2C19 3045/4885

“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.