SCHEMBL8510305

SCHEMBL8510305

Brc1c(OC2CCOC2)ccc2c1nnn2CC1CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.48
TDO2 P48775 2/20 0.37
PDE8B O95263 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 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
SCHEMBL8514320 0.93 GRM2 (0.50) GRM2TDO2PDE8B
SCHEMBL8510197 0.92 GRM2 (0.51) GRM2TDO2PDE8B
SCHEMBL8514317 0.82 GRM2 (0.46) GRM2TDO2
SCHEMBL8511064 0.81 GRM2 (0.49) GRM2TDO2PDE8B
SCHEMBL8513683 0.80 GRM2 (0.46) GRM2TDO2PDE8B
SCHEMBL8509635 0.79 GRM2 (0.47) GRM2TDO2
SCHEMBL8511136 0.79 GRM2 (0.45) GRM2
SCHEMBL8510414 0.78 GRM2 (0.67) GRM2TDO2
SCHEMBL7816168 0.78 GRM2 (0.50) GRM2TDO2
SCHEMBL8511918 0.78 GRM2 (0.46) GRM2

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 GRM2 1/4885TDO2 1671/4885PDE8B 4165/4885

“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.