SCHEMBL6903422

SCHEMBL6903422

CN(C)C(=O)Cn1nc(-c2cccc(C3(NC(=O)OC(C)(C)C)COC3)c2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.34
SCN9A Q15858 5/20 0.33
P2RY14 Q15391 1/20 0.32
RORC P51449 1/20 0.32
GHSR Q92847 1/20 0.32
MAP2K4 P45985 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
AGER Q15109 1/20 0.31
PIK3CD O00329 2/20 0.31
PIK3C2B O00750 1/20 0.31
RAF1 P04049 2/20 0.30
BRAF P15056 2/20 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
SCHEMBL1660744 0.92 PDE2A (0.38) PDE2ASCN9AP2RY14MAP2K4SCN10A
SCHEMBL14718861 0.91 PDE2A (0.37) PDE2ASCN9ASCN10AGRIN1GRIN2B
SCHEMBL14727913 0.91 TRPM2 (0.37) PDE2ASCN9AP2RY14MAP2K4GRIN1
SCHEMBL14727911 0.86 GRIN2B (0.34) PDE2ASCN9ASCN10AGRIN1GRIN2B
SCHEMBL14718043 0.85 GRIN2B (0.32) PDE2ASCN9ASCN10AGRIN1GRIN2B
SCHEMBL6904513 0.85 SCN9A (0.36) SCN9AGRIN1GRIN2B
SCHEMBL1660015 0.85 PDE2A (0.36) PDE2ASCN9AP2RY14MAP2K4SCN10A
SCHEMBL6904357 0.85 SRPK1 (0.36) PDE2ASCN9AGRIN1GRIN2BPIK3CD
SCHEMBL6903551 0.84 PDE2A (0.36) PDE2ASCN9AP2RY14MAP2K4SCN10A
SCHEMBL14717866 0.79 PDE2A (0.39) PDE2ASCN9AP2RY14SCN10AGRIN1

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 PDE2A 4176/4885SCN9A 1887/4885P2RY14 2139/4885

“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.