SCHEMBL8509869

SCHEMBL8509869

OCC(O)COc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.48
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
AGTR1 P30556 1/20 0.33
LMNA P02545 1/20 0.33
TDO2 P48775 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8513187 0.89 GRM2 (0.46) GRM2TDO2
SCHEMBL8513274 0.86 GRM2 (0.44) GRM2CYP1A2KDM4E
SCHEMBL8510265 0.86 GRM2 (0.44) GRM2CYP1A2KDM4ESMN1; SMN2
SCHEMBL8510358 0.85 GRM2 (0.51) GRM2TDO2
SCHEMBL8510272 0.85 GRM2 (0.46) GRM2
SCHEMBL8514353 0.85 GRM2 (0.45) GRM2LMNA
SCHEMBL8513172 0.85 GRM2 (0.42) GRM2LMNA
SCHEMBL8512821 0.84 KMT2A (0.48) GRM2CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL8512946 0.83 GRM2 (0.51) GRM2TDO2
SCHEMBL8511873 0.83 GRM2 (0.46) GRM2TDO2

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 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-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 1/4885CYP1A2 1135/4885KDM4E 1441/4885

“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.