SCHEMBL2713491

SCHEMBL2713491

O=C(O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.81
SCN3A Q9NY46 8/20 0.81
SCN1A P35498 1/20 0.81
SCN4A P35499 1/20 0.81
SCN7A Q01118 1/20 0.81
SCN5A Q14524 1/20 0.81
SCN9A Q15858 1/20 0.81
SCN2A Q99250 1/20 0.81
SCN8A Q9UQD0 1/20 0.81
SCN10A Q9Y5Y9 1/20 0.81
MAOB P27338 3/20 0.79
CYP1A2 P05177 1/20 0.79
CYP2B6 P20813 1/20 0.79
CYP2C19 P33261 1/20 0.79
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
FFAR2 O15552 1/20 0.48

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
SCHEMBL10080247 1.00 KCNH2 (0.81) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2836373 0.94 KCNH2 (0.72) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL2830886 0.94 KCNH2 (0.72) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL2831660 0.89 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL862457 0.89 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL862168 0.89 KCNH2 (0.79) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL311438 0.89 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
Vixotrigine SCHEMBL840590 0.89 KCNH2 (1.00) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL862451 0.89 KCNH2 (0.79) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL13320297 0.89 KCNH2 (0.79) KCNH2SCN3ASCN1ASCN4ASCN7A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177426-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES BIOGEN MA INC. 2022-06-09 US disclosed
EP-3953329-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES Biogen MA Inc. (US) 2022-02-16 EP disclosed
CN-114026066-A Process for preparing alpha-carboxamide pyrrolidine derivatives 生物基因麻省公司 2022-02-08 CN disclosed
US-20210154170-A1 METHODS OF TREATING NEUROPATHIC PAIN BIOGEN MA INC. 2021-05-27 US disclosed
WO-2020210485-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES BIOGEN MA INC. (US) 2020-10-15 WO disclosed
EP-2461807-A1 CO-THERAPY FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS Convergence Pharmaceuticals Limited (GB) 2012-06-13 EP disclosed
EP-1934177-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2012-05-02 EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7855218-B2 (5R)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-L-prolinamide; depression or a mood disorder ; modulation of use-dependent voltage-gated sodium channels Convergence Pharmaceuticals Limited (GB) 2010-12-21 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-24 US disclosed
EP-2129655-A1 PROLINAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS Glaxo Group Limited (GB) 2009-12-09 EP disclosed
US-20080306122-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-12-11 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 US disclosed
US-20080280969-A1 Novel Compounds GLAXO GROUP LIMITED 2008-11-13 US disclosed
WO-2008122546-A1 PROLINAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-10-16 WO disclosed
EP-1934176-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
EP-1934177-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2008-06-25 EP disclosed
WO-2007042239-A1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO 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 (7 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-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS HCRTR1, TACR2, CNR1 KCNH2 7/4885SCN3A 45/4885SCN1A 16/4885
US-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885SCN3A 2696/4885SCN1A 1086/4885
US-20080306122-A1 Novel Compounds CYP11B1, CYP11B2, CYP46A1 KCNH2 3313/4885SCN3A 2352/4885SCN1A 691/4885
US-20220177426-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES CPS1, PCCA, ALDH18A1 KCNH2 774/4885SCN3A 2474/4885SCN1A 1640/4885
US-20210154170-A1 METHODS OF TREATING NEUROPATHIC PAIN OPRL1, PMP22, PRPH KCNH2 811/4885SCN3A 13/4885SCN1A 93/4885
US-20080280969-A1 Novel Compounds CYP11B2, CYP46A1, SLC10A1 KCNH2 1998/4885SCN3A 2634/4885SCN1A 1089/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885SCN3A 11/4885SCN1A 5/4885

“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.