SCHEMBL1104556

SCHEMBL1104556

COC[C@@]1(C(=O)OC)CC[C@H](c2ccc(OCc3ccccc3F)c(OC)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.50
SCN3A Q9NY46 2/20 0.50
PRMT5 O14744 1/20 0.41
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
TRPC6 Q9Y210 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4B Q07343 2/20 0.37
NOX1 Q9Y5S8 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 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
SCHEMBL1104545 0.94 KCNH2 (0.50) KCNH2SCN3APRMT5GAASMN1; SMN2
SCHEMBL483794 0.93 KCNH2 (0.51) KCNH2SCN3APRMT5GAASMN1; SMN2
SCHEMBL483667 0.92 KCNH2 (0.54) KCNH2SCN3APRMT5TRPC6KMT2A
SCHEMBL1104549 0.90 KCNH2 (0.52) KCNH2SCN3APRMT5GAASMN1; SMN2
SCHEMBL1104552 0.88 KCNH2 (0.50) KCNH2SCN3ASMN1; SMN2GPR119
SCHEMBL482955 0.86 KCNH2 (0.52) KCNH2SCN3APRMT5GAASMN1; SMN2
SCHEMBL483579 0.86 KCNH2 (0.56) KCNH2SCN3APRMT5GAASMN1; SMN2
SCHEMBL484118 0.86 KCNH2 (0.52) KCNH2SCN3APRMT5GAASMN1; SMN2
SCHEMBL2839989 0.84 KCNH2 (0.54) KCNH2SCN3APRMT5GAASMN1; SMN2
SCHEMBL2837170 0.82 KCNH2 (0.57) KCNH2SCN3APRMT5TRPC6KMT2A

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
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
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 KCNH2 3260/4885SCN3A 2696/4885PRMT5 3104/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885SCN3A 11/4885PRMT5 319/4885

“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.