SCHEMBL310676

SCHEMBL310676

CC(C)(C)C1C[C@H](c2ccc(OCc3ccccc3F)cc2)N(C(=O)O)[C@]1(C)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.54
SCN3A Q9NY46 10/20 0.51
SCN9A Q15858 2/20 0.49
SCN1A P35498 1/20 0.49
SCN4A P35499 1/20 0.49
SCN7A Q01118 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
MAOB P27338 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
PARP15 Q460N3 2/20 0.46
PARP10 Q53GL7 2/20 0.46
PARP14 Q460N5 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
KDM1A O60341 1/20 0.39

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
SCHEMBL483795 1.00 KCNH2 (0.54) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL311657 0.88 KCNH2 (0.46) KCNH2MAOBPARP10OPRM1OPRD1
SCHEMBL483408 0.88 KCNH2 (0.46) KCNH2MAOBPARP10OPRM1OPRD1
SCHEMBL483784 0.86 KCNH2 (0.51) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL483581 0.86 KCNH2 (0.55) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL483295 0.86 KCNH2 (0.51) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL2832873 0.80 KCNH2 (0.59) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL2832497 0.80 KCNH2 (0.59) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL310423 0.80 KCNH2 (0.56) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL840054 0.80 KCNH2 (0.56) KCNH2SCN3ASCN9ASCN1ASCN4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2010-05-06 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 (1 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-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) KCNJ2, TRPV1, SCN5A KCNH2 11/4885SCN3A 40/4885SCN9A 109/4885

“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.