SCHEMBL483702

SCHEMBL483702

CC(C)(C)OC(=O)N1[C@@H](c2ccc(OCc3ccccc3F)cc2)CC[C@]12CCCNC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 7/20 0.48
KCNH2 Q12809 6/20 0.47
BTK Q06187 1/20 0.44
SCN1A P35498 1/20 0.42
SCN4A P35499 1/20 0.42
SCN7A Q01118 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
MAOB P27338 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP1 P03956 2/20 0.39
ADAM17 P78536 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PARP15 Q460N3 1/20 0.37

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
SCHEMBL484165 1.00 SCN3A (0.48) SCN3AKCNH2BTKSCN1ASCN4A
SCHEMBL483562 0.95 KCNH2 (0.48) SCN3AKCNH2BTKSCN1ASCN4A
SCHEMBL310836 0.95 KCNH2 (0.48) SCN3AKCNH2BTKSCN1ASCN4A
SCHEMBL483538 0.91 SCN3A (0.39) SCN3AKCNH2BTKSCN1ASCN4A
SCHEMBL483225 0.91 SCN3A (0.39) SCN3AKCNH2BTKSCN1ASCN4A
SCHEMBL2837215 0.88 KCNH2 (0.48) SCN3AKCNH2SCN1ASCN4ASCN7A
SCHEMBL2834508 0.88 KCNH2 (0.48) SCN3AKCNH2SCN1ASCN4ASCN7A
SCHEMBL483533 0.86 F2 (0.39) SCN3AKCNH2BTKSCN1ASCN4A
SCHEMBL10167529 0.85 KCNH2 (0.38) SCN3AKCNH2BTKSCN1ASCN4A
SCHEMBL310842 0.84 KCNH2 (0.49) SCN3AKCNH2BTKSCN1ASCN4A

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
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

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