SCHEMBL9604264

SCHEMBL9604264

COC(=O)COc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.51
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9604252 0.89 GRM2 (0.46) GRM2KDM4EPOLBMEN1KMT2A
SCHEMBL9604242 0.88 GRM2 (0.46) GRM2KDM4EMEN1KMT2A
SCHEMBL9604326 0.88 GRM2 (0.46) GRM2KDM4EMEN1KMT2A
SCHEMBL8510393 0.86 GRM2 (0.47) GRM2
SCHEMBL8509755 0.85 GRM2 (0.47) GRM2
SCHEMBL8512855 0.85 GRM2 (0.45) GRM2POLBMEN1KMT2A
SCHEMBL8513278 0.85 GRM2 (0.47) GRM2MEN1KMT2A
SCHEMBL8511056 0.85 GRM2 (0.45) GRM2
SCHEMBL9604251 0.84 GRM2 (0.47) GRM2
SCHEMBL8510003 0.84 GRM2 (0.46) GRM2PTGDR2

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 1/4885PTGDR 230/4885PTGDR2 188/4885

“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.