SCHEMBL8512353

SCHEMBL8512353

CC(C)(C)Cn1nnc2c(Br)c(OCc3cccc(-c4cnc(O)nc4)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.38
F2 P00734 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MPO P05164 1/20 0.31
CYP19A1 P11511 1/20 0.31
SLC6A4 P31645 1/20 0.31
FFAR1 O14842 1/20 0.31
PTGER1 P34995 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL8511759 0.90 GRM2 (0.37) GRM2F2MRGPRX4MPOSLC6A4
SCHEMBL9604222 0.89 GRM2 (0.42) GRM2F2MRGPRX4MPOSLC6A4
SCHEMBL8509613 0.89 CYP4F2 (0.38) GRM2F2MRGPRX4CYP4F2CYP4A11
SCHEMBL8510325 0.87 GRM2 (0.35) GRM2MRGPRX4SLC6A4PTGER1
SCHEMBL8510782 0.85 GRM2 (0.37) GRM2F2MRGPRX4MPO
SCHEMBL8511096 0.84 MCL1 (0.43) GRM2MRGPRX4
SCHEMBL9604223 0.84 GRM2 (0.36) GRM2F2MRGPRX4
SCHEMBL8509609 0.83 GRM2 (0.36) GRM2MRGPRX4CYP4F2CYP4A11
SCHEMBL8510019 0.82 F2RL3 (0.39) GRM2MRGPRX4CYP4F2CYP4A11
SCHEMBL9604221 0.82 ENPP2 (0.38) GRM2MRGPRX4SLC6A4PTGER1

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 1/4885F2 4595/4885MRGPRX4 884/4885

“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.