SCHEMBL2224207

SCHEMBL2224207

CCN(Cc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCN(c2nccc(C)c2C(=O)OC(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
AOC3 Q16853 2/20 0.35
MCHR1 Q99705 4/20 0.34
ITGB2 P05107 2/20 0.34
ICAM1 P05362 2/20 0.34
ITGAL P20701 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
SLC6A9 P48067 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
OPRK1 P41145 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2224662 0.89 MAPT (0.52) MAPTLMNAAOC3DRD2DRD4
SCHEMBL2226396 0.87 CCR5 (0.40) MAPTLMNAMCHR1UBE2MDCUN1D1
SCHEMBL2221367 0.86 THRB (0.41) MAPTLMNAUBE2MDCUN1D1SLC6A9
SCHEMBL2222845 0.85 KDM4E (0.39) UBE2MDCUN1D1SLC6A9KCNH2SLC6A5
SCHEMBL2223593 0.85 SLC6A9 (0.36) MAPTUBE2MDCUN1D1SLC6A9KCNH2
SCHEMBL2222386 0.84 OPRM1 (0.39) MAPTLMNAITGB2ICAM1ITGAL
SCHEMBL2224441 0.84 NAMPT (0.38) MAPTLMNAUBE2MDCUN1D1OPRK1
SCHEMBL2223015 0.83 FAAH (0.40) MAPTUBE2MDCUN1D1POLBKDM4E
SCHEMBL2222833 0.82 MAPT (0.47) MAPTLMNAAOC3MCHR1UBE2M
SCHEMBL2221583 0.81 HTR2A (0.38) OPRK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B MAPT 1880/4885LMNA 611/4885AOC3 3959/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885LMNA 816/4885AOC3 3650/4885

“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.