SCHEMBL8510019

SCHEMBL8510019

COc1ccc(-c2cccc(COc3ccc4c(nnn4CC(C)(C)C)c3Br)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 12/20 0.39
GRM2 Q14416 4/20 0.37
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
SYK P43405 1/20 0.32

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
SCHEMBL8512353 0.82 GRM2 (0.38) GRM2CYP4F2CYP4A11MRGPRX4
SCHEMBL8512575 0.82 CTSS (0.42) F2RL3GRM2
SCHEMBL9604222 0.82 GRM2 (0.42) GRM2MRGPRX4
SCHEMBL8510325 0.80 GRM2 (0.35) GRM2MRGPRX4
SCHEMBL8511759 0.80 GRM2 (0.37) F2RL3GRM2MRGPRX4
SCHEMBL9604223 0.79 GRM2 (0.36) GRM2MRGPRX4
SCHEMBL8513629 0.79 BRD4 (0.43) GRM2
SCHEMBL8509613 0.79 CYP4F2 (0.38) GRM2CYP4F2CYP4A11MRGPRX4
SCHEMBL8510782 0.78 GRM2 (0.37) GRM2MRGPRX4
SCHEMBL8513224 0.77 PTGER1 (0.34) GRM2MRGPRX4

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 F2RL3 2251/4885GRM2 1/4885CYP4F2 947/4885

“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.