SCHEMBL2469677

SCHEMBL2469677

O=C(c1ccc(F)cc1)N1CCC(Cc2ccccc2)(C(=O)NCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.53
MGLL Q99685 1/20 0.49
CYP3A4 P08684 2/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD11B1 P28845 1/20 0.48
UBE2M P61081 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
MAPK14 Q16539 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
NR3C2 P08235 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MLYCD O95822 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2472090 0.88 PRKAA2 (0.52) CYP2C19MAPK8MAPK10MAPTALDH1A1
SCHEMBL2472762 0.87 FFAR1 (0.46) MGLLCYP3A4CYP2C19NR3C2NPC1
SCHEMBL2467218 0.87 OPRL1 (0.55) GAAUBE2MDCUN1D1NR3C2USP2
SCHEMBL13594292 0.86 PRKAA2 (0.49) MAPK8MAPK10ALDH1A1NPC1
SCHEMBL2465842 0.85 L3MBTL1 (0.49) NR3C2LMNAALDH1A1HPGDNPC1
SCHEMBL2465843 0.85 L3MBTL1 (0.49) NR3C2LMNAALDH1A1HPGDNPC1
SCHEMBL14327394 0.84 SMN1; SMN2 (0.49) CYP3A4GAACYP2C19HSD11B1MAPK14
SCHEMBL2468456 0.83 FFAR1 (0.49) MGLLCYP3A4CYP2C19MAPK14NR3C2
SCHEMBL2468677 0.81 FFAR1 (0.48) CYP3A4CYP2C19MAPK14NR3C2MLYCD
SCHEMBL2470979 0.81 TACR1 (0.53) CYP3A4CYP2C19MAPK14NR3C2NPC1

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 PKLR 283/4885MGLL 3664/4885CYP3A4 1607/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 PKLR 283/4885MGLL 3664/4885CYP3A4 1607/4885

“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.