SCHEMBL483533

SCHEMBL483533

CC(C)(C)OC(=O)N1[C@@H](c2cccc(OCc3ccccc3F)c2)CC[C@]12CCNC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
BTK Q06187 1/20 0.39
KCNH2 Q12809 7/20 0.39
SCN3A Q9NY46 9/20 0.38
PTPN1 P18031 1/20 0.37
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HPD P32754 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2B6 P20813 1/20 0.36
MAOB P27338 1/20 0.36
CYP2C19 P33261 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL483538 0.95 SCN3A (0.39) F2F10BTKKCNH2SCN3A
SCHEMBL483225 0.95 SCN3A (0.39) F2F10BTKKCNH2SCN3A
SCHEMBL310836 0.91 KCNH2 (0.48) BTKKCNH2SCN3ASCN1ASCN4A
SCHEMBL483562 0.91 KCNH2 (0.48) BTKKCNH2SCN3ASCN1ASCN4A
SCHEMBL2832474 0.88 KCNH2 (0.42) F2F10KCNH2SCN3ASCN1A
SCHEMBL483745 0.86 BTK (0.40) F2F10BTKKCNH2SCN3A
SCHEMBL484165 0.86 SCN3A (0.48) BTKKCNH2SCN3ASCN1ASCN4A
SCHEMBL483702 0.86 SCN3A (0.48) BTKKCNH2SCN3ASCN1ASCN4A
SCHEMBL2834518 0.83 HPD (0.42) F2F10KCNH2SCN3ASCN1A
SCHEMBL2835406 0.83 HPD (0.42) F2F10KCNH2SCN3ASCN1A

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
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 F2 716/4885F10 1611/4885BTK 4094/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B F2 3505/4885F10 1227/4885BTK 1182/4885

“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.