SCHEMBL3475804

SCHEMBL3475804

CC(C)(Oc1ccc(C(F)F)cn1)C(=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.36
MAP4K4 O95819 1/20 0.34
SCN10A Q9Y5Y9 3/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
HSD11B1 P28845 2/20 0.32
NR3C1 P04150 1/20 0.31
SCN7A Q01118 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL3475308 0.80 MAP4K4 (0.46) SCN9AMAP4K4SCN10ACNR1CNR2
SCHEMBL3475806 0.72 SCN9A (0.37) SCN9AMAP4K4SCN10ACNR1CNR2
SCHEMBL27913818 0.67 KDM4E (0.39) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL3475808 0.67 SCN9A (0.35) SCN9AMAP4K4SCN10ACNR1CNR2
SCHEMBL31292391 0.66 CYP2C19 (0.46) SCN9ACNR2
SCHEMBL12093558 0.64 NNMT (0.44)
SCHEMBL3474160 0.63 HSD11B1 (0.52) CNR1CNR2HSD11B1NR3C1KCNH2
SCHEMBL16326512 0.62 KDM4E (0.45) MAP4K4CNR1CNR2HSD11B1
SCHEMBL3474425 0.62 MAP4K4 (0.48) MAP4K4
SCHEMBL31292214 0.62 DGAT1 (0.39) SCN9AKCNH2

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-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
EP-1641493-A4 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
EP-1641493-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 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 (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-20060115425-A1 Substituted amides CNR1, CNR2, FAAH SCN9A 1970/4885MAP4K4 2487/4885SCN10A 1591/4885

“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.