SCHEMBL9604221

SCHEMBL9604221

CC(C)(C)Cn1nnc2c(Br)c(OCc3cccc(B(O)O)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.38
GRM2 Q14416 8/20 0.34
SLC6A4 P31645 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
PTGER1 P34995 2/20 0.32
LIPE Q05469 1/20 0.30

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
SCHEMBL8510325 0.88 GRM2 (0.35) GRM2SLC6A4MRGPRX4PTGER1
SCHEMBL8513629 0.84 BRD4 (0.43) GRM2PTGER1
SCHEMBL9604222 0.83 GRM2 (0.42) GRM2SLC6A4MRGPRX4
SCHEMBL8511980 0.82 MRGPRX4 (0.48) MRGPRX4
SCHEMBL8512353 0.82 GRM2 (0.38) GRM2SLC6A4MRGPRX4PTGER1
SCHEMBL8510782 0.80 GRM2 (0.37) GRM2MRGPRX4
SCHEMBL8511785 0.79 GPR84 (0.41) GRM2
SCHEMBL8513043 0.79 GRM2 (0.37) GRM2
SCHEMBL8510107 0.78 GRM2 (0.34) GRM2PTGER1
SCHEMBL8509613 0.78 CYP4F2 (0.38) GRM2MRGPRX4PTGER1

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 ENPP2 738/4885GRM2 1/4885SLC6A4 361/4885

“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.