SCHEMBL2473526

SCHEMBL2473526

O=C(CCc1ccc(F)cc1)N1CCC(C(=O)NCC2CCCCC2)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
CACNA1I Q9P0X4 1/20 0.52
OPRL1 P41146 2/20 0.48
GFER P55789 1/20 0.47
TRPA1 O75762 2/20 0.45
GRIN2B Q13224 1/20 0.45
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 1/20 0.43
NAAA Q02083 1/20 0.43
GPR183 P32249 1/20 0.43
CACNA1F O60840 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 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
SCHEMBL2469930 0.89 GRIN2B (0.53) OPRL1GRIN2BNPC1TDP1NAAA
SCHEMBL14312288 0.86 GFER (0.44) KCNH2CACNA1IGFERGRIN2BNPC1
SCHEMBL2471516 0.85 OPRL1 (0.56) OPRL1GFERNPC1TDP1EPHX2
SCHEMBL2467659 0.84 OPRL1 (0.57) OPRL1GFERNPC1TDP1EPHX2
SCHEMBL2467799 0.84 OPRL1 (0.57) OPRL1GFERNPC1TDP1EPHX2
SCHEMBL12194770 0.82 GFER (0.53) OPRL1GFERNPC1TDP1EPHX2
SCHEMBL2471157 0.81 GFER (0.52) OPRL1GFERNPC1TDP1EPHX2
SCHEMBL2703428 0.81 GFER (0.58) GFERNPC1TDP1EPHX2NAAA
SCHEMBL2517917 0.80 OPRL1 (0.54) KCNH2OPRL1GFEREPHX2GPR183
SCHEMBL2471734 0.80 EPHX2 (0.53) GFEREPHX2GPR183DRD4DRD3

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 13 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 claimed
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 KCNH2 2/4885CACNA1I 52/4885OPRL1 1904/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 KCNH2 2/4885CACNA1I 52/4885OPRL1 1904/4885

“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.