SCHEMBL6902871

SCHEMBL6902871

CC(C)(C)OC(=O)NC1(c2cccc(-c3cc(Oc4ccc(C(F)(F)F)cc4)nn3Cc3cocn3)c2)COC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.37
SRPK1 Q96SB4 15/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PIK3CD O00329 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL14719021 0.91 SCN9A (0.39) SCN9ASRPK1GRIN1GRIN2BSCN10A
SCHEMBL6904357 0.88 SRPK1 (0.36) SCN9ASRPK1GRIN1GRIN2BPIK3CD
SCHEMBL14717866 0.86 PDE2A (0.39) SCN9AGRIN1GRIN2BPIK3CDSCN10A
SCHEMBL14727920 0.85 GRIN1 (0.39) SCN9ASRPK1GRIN1GRIN2B
SCHEMBL6902906 0.84 TRPM2 (0.37) SCN9AGRIN1GRIN2BPIK3CDSCN10A
SCHEMBL1658776 0.83 GRIN1 (0.37) SCN9ASRPK1GRIN1GRIN2B
SCHEMBL1659923 0.79 SRPK1 (0.38) SCN9ASRPK1GRIN1GRIN2B
SCHEMBL1660744 0.76 PDE2A (0.38) SCN9AGRIN1GRIN2BPIK3CDSCN10A
SCHEMBL6903551 0.75 PDE2A (0.36) SCN9APIK3CDSCN10A
SCHEMBL6903422 0.74 PDE2A (0.34) SCN9AGRIN1GRIN2BPIK3CDSCN10A

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-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP SCN9A 1887/4885SRPK1 3753/4885GRIN1 1359/4885

“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.