SCHEMBL483745

SCHEMBL483745

CN1CC[C@]2(CC[C@H](c3cccc(OCc4ccccc4F)c3)N2C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
KCNH2 Q12809 7/20 0.40
SCN3A Q9NY46 8/20 0.40
GPR119 Q8TDV5 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PTPN1 P18031 1/20 0.36
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 0.35
CYP2B6 P20813 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
SCHEMBL310842 0.91 KCNH2 (0.49) BTKKCNH2SCN3AGPR119SCN1A
SCHEMBL2837250 0.89 KCNH2 (0.42) KCNH2SCN3AF2F10SPHK2
SCHEMBL483533 0.86 F2 (0.39) BTKKCNH2SCN3AGPR119F2
SCHEMBL483225 0.85 SCN3A (0.39) BTKKCNH2SCN3AF2F10
SCHEMBL483538 0.85 SCN3A (0.39) BTKKCNH2SCN3AF2F10
SCHEMBL15536450 0.81 DRD2 (0.42) GPR119SCN9A
SCHEMBL2830830 0.80 KCNH2 (0.53) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483562 0.77 KCNH2 (0.48) BTKKCNH2SCN3AGPR119SCN1A
SCHEMBL310836 0.77 KCNH2 (0.48) BTKKCNH2SCN3AGPR119SCN1A
SCHEMBL484165 0.76 SCN3A (0.48) BTKKCNH2SCN3AGPR119SCN1A

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 BTK 4094/4885KCNH2 3260/4885SCN3A 2696/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B BTK 1182/4885KCNH2 15/4885SCN3A 11/4885

“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.