SCHEMBL10079396

SCHEMBL10079396

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46
SCN3A Q9NY46 7/20 0.46
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
BTK Q06187 1/20 0.42
MAOB P27338 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR119 Q8TDV5 1/20 0.38
MMP1 P03956 2/20 0.37
ADAM17 P78536 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL10079841 0.89 KCNH2 (0.48) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL10080246 0.88 KCNH2 (0.47) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL1106966 0.87 KCNH2 (0.46) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL1104561 0.85 KCNH2 (0.47) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL1104542 0.82 KCNH2 (0.49) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483695 0.81 KCNH2 (0.51) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL310675 0.80 KCNH2 (0.55) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483793 0.80 KCNH2 (0.55) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL8158715 0.79 KCNH2 (0.48) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL483792 0.78 KCNH2 (0.51) 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 6 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-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
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-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
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 (3 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 2696/4885SCN1A 1086/4885
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 40/4885SCN1A 19/4885
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.