SCHEMBL8512427

SCHEMBL8512427

CC(Oc1ccc2c(nnn2CC(C)(C)C)c1Br)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.36
BRD4 O60885 2/20 0.33
LRRK2 Q5S007 1/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
POLB P06746 1/20 0.32
RORC P51449 2/20 0.31
HTR6 P50406 2/20 0.31
LPAR1 Q92633 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
SCHEMBL8511815 1.00 GRM2 (0.36) GRM2BRD4LRRK2LTB4RLTB4R2
SCHEMBL8512319 1.00 GRM2 (0.36) GRM2BRD4LRRK2LTB4RLTB4R2
SCHEMBL8513164 0.89 GRM2 (0.36) GRM2LRRK2HTR6
SCHEMBL8509438 0.87 GRM2 (0.37) GRM2
SCHEMBL8512393 0.85 BRD4 (0.38) GRM2BRD4
SCHEMBL9604225 0.81 HPGD (0.38) GRM2
SCHEMBL9894954 0.81 GRM2 (0.39) GRM2POLB
SCHEMBL8513629 0.79 BRD4 (0.43) GRM2BRD4
SCHEMBL8513360 0.79 GRM2 (0.40) GRM2
SCHEMBL8511254 0.77 GRM2 (0.33) 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 1/4885BRD4 148/4885LRRK2 1522/4885

“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.