SCHEMBL9604226

SCHEMBL9604226

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.44
F2RL3 Q96RI0 4/20 0.40
ALOX5AP P20292 3/20 0.40
FEN1 P39748 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
GRM2 Q14416 7/20 0.39
GPR119 Q8TDV5 2/20 0.37

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
SCHEMBL9604227 1.00 PDE8B (0.44) PDE8BF2RL3ALOX5APFEN1FPR3
SCHEMBL8511884 0.87 GRM2 (0.42) GRM2
SCHEMBL8510573 0.87 GRM2 (0.42) GRM2
SCHEMBL8511770 0.85 SCN9A (0.49) ALOX5APFEN1FPR3FPR2GRM2
SCHEMBL8509456 0.84 GRM2 (0.41) ALOX5APFEN1GRM2
SCHEMBL8511930 0.83 SCN9A (0.42) ALOX5APFEN1FPR2GRM2GPR119
SCHEMBL9604242 0.81 GRM2 (0.46) PDE8BALOX5APFEN1GRM2
SCHEMBL8509721 0.81 GRM2 (0.38) FPR2GRM2GPR119
SCHEMBL9604241 0.81 GRM2 (0.38) FPR2GRM2GPR119
SCHEMBL8511774 0.79 EPHX2 (0.39) GRM2GPR119

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 4 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 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

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 PDE8B 4165/4885F2RL3 2251/4885ALOX5AP 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.