SCHEMBL483476

SCHEMBL483476

C[C@]1(C(N)=O)CC[C@@H](c2ccc(OCc3ccccc3)cc2)N1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.58
PARP10 Q53GL7 1/20 0.50
MAOB P27338 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
ADAM17 P78536 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SCN3A Q9NY46 2/20 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
SCHEMBL484084 0.85 SCN3A (0.62) KCNH2PARP10MAOBOPRM1OPRD1
SCHEMBL483221 0.85 SCN3A (0.62) KCNH2PARP10MAOBOPRM1OPRD1
SCHEMBL483157 0.85 SCN3A (0.62) KCNH2PARP10MAOBOPRM1OPRD1
Hydrochloric Acid SCHEMBL483509 0.84 SCN3A (0.63) KCNH2PARP10MAOBOPRM1OPRD1
SCHEMBL483705 0.82 KCNH2 (0.63) KCNH2MAOBADAM17SCN3A
SCHEMBL2831540 0.76 KCNH2 (0.51) KCNH2PARP10MAOBNPC1RAB9A
SCHEMBL2832438 0.76 KCNH2 (0.51) KCNH2PARP10MAOBNPC1RAB9A
SCHEMBL483073 0.74 KCNH2 (0.61) KCNH2SCN3A
SCHEMBL2835928 0.74 KCNH2 (1.00) KCNH2MAOBSCN3A
SCHEMBL2839938 0.74 KCNH2 (1.00) KCNH2MAOBSCN3A

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-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP claimed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US claimed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US claimed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP claimed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO claimed
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-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
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP 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 3260/4885PARP10 2099/4885MAOB 1344/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885PARP10 1242/4885MAOB 2215/4885

“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.