SCHEMBL9604241

SCHEMBL9604241

CC(C)(C)OC(=O)N1CC[C@H](COc2ccc3c(nnn3CC3CC3)c2Br)[C@@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.38
SCN9A Q15858 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
FPR2 P25090 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL8509721 1.00 GRM2 (0.38) GRM2SCN9AJAK2JAK1TYK2
SCHEMBL8511930 0.91 SCN9A (0.42) GRM2SCN9AGPR119FPR2BACE1
SCHEMBL8509769 0.89 GRM2 (0.41) GRM2JAK2JAK1TYK2GPR119
SCHEMBL9604231 0.88 GRM2 (0.39) GRM2JAK2JAK1TYK2FPR2
SCHEMBL8513148 0.88 GRM2 (0.39) GRM2JAK2JAK1TYK2FPR2
SCHEMBL9604240 0.88 GRM2 (0.39) GRM2JAK2JAK1TYK2FPR2
SCHEMBL8513458 0.88 GRM2 (0.41) GRM2
SCHEMBL8509456 0.88 GRM2 (0.41) GRM2SCN9A
SCHEMBL8511770 0.87 SCN9A (0.49) GRM2SCN9AFPR2BACE1
SCHEMBL9604238 0.86 GRM2 (0.38) GRM2JAK2JAK1TYK2FPR2

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 GRM2 1/4885SCN9A 3983/4885JAK2 974/4885

“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.