SCHEMBL8511770

SCHEMBL8511770

CC(C)(C)OC(=O)N1CCCC(COc2ccc3c(nnn3CC3CC3)c2Br)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
FEN1 P39748 2/20 0.42
ALOX5AP P20292 1/20 0.42
CHEK2 O96017 1/20 0.41
GRM2 Q14416 6/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
BACE1 P56817 2/20 0.40
CTSD P07339 1/20 0.40
HTR6 P50406 4/20 0.39
BCHE P06276 2/20 0.39
GLS O94925 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
SCHEMBL8511930 0.95 SCN9A (0.42) SCN9AFEN1ALOX5APGRM2FPR2
SCHEMBL8509456 0.92 GRM2 (0.41) SCN9AFEN1ALOX5APGRM2
SCHEMBL8509769 0.90 GRM2 (0.41) FEN1ALOX5APCHEK2GRM2FPR2
SCHEMBL9604241 0.87 GRM2 (0.38) SCN9AGRM2FPR2BACE1
SCHEMBL8509721 0.87 GRM2 (0.38) SCN9AGRM2FPR2BACE1
SCHEMBL8509437 0.87 PDE4B (0.42) SCN9AFEN1CHEK2GRM2
SCHEMBL9604227 0.85 PDE8B (0.44) FEN1ALOX5APGRM2FPR3FPR2
SCHEMBL9604226 0.85 PDE8B (0.44) FEN1ALOX5APGRM2FPR3FPR2
SCHEMBL8511774 0.82 EPHX2 (0.39) SCN9AGRM2
SCHEMBL9604240 0.82 GRM2 (0.39) GRM2FPR2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US claimed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US claimed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 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-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 SCN9A 3983/4885FEN1 4631/4885ALOX5AP 1473/4885

“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.