SCHEMBL2468633

SCHEMBL2468633

O=C(CC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1)Nc1nnc(C(F)(F)F)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MCHR1 Q99705 1/20 0.43
HSD17B10 Q99714 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
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
TACR1 P25103 2/20 0.41
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2472273 0.82 GRIN2B (0.58) POLBKDM4EMCHR1HDAC3HDAC1
SCHEMBL2468014 0.80 CSNK1D (0.54) POLBKDM4EHSD17B10HDAC3HDAC1
SCHEMBL2471552 0.80 GRIN2B (0.58) TSHRLMNAKDM4EHDAC3HDAC1
SCHEMBL13688325 0.80 MCHR1 (0.45) MCHR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2472042 0.78 OPRK1 (0.46) MCHR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2470005 0.78 MAPT (0.54) LMNAPOLBKDM4EHTTNPC1
SCHEMBL2469385 0.77 HDAC3 (0.46) MCHR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2467983 0.76 CA1 (0.48) MCHR1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2469375 0.76 HDAC3 (0.46) L3MBTL1MCHR1HDAC3HDAC1HDAC2
SCHEMBL2469454 0.76 CA1 (0.53) MCHR1HDAC3HDAC1HDAC2HDAC6

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 9 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-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 PKM 675/4885L3MBTL1 1381/4885TSHR 2555/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 PKM 675/4885L3MBTL1 1381/4885TSHR 2555/4885

“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.