SCHEMBL9897224

SCHEMBL9897224

CC(=O)c1ccc(Oc2ccc3c(nnn3CC(C)(C)C)c2Br)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.37
GRN P28799 2/20 0.32
SORT1 Q99523 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
NNMT P40261 1/20 0.31
MAPT P10636 2/20 0.31
KCNJ1 P48048 1/20 0.31
GPR183 P32249 1/20 0.31
USP2 O75604 1/20 0.31
MDM2 Q00987 1/20 0.31
CYSLTR1 Q9Y271 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
SCHEMBL9896164 0.90 LMNA (0.37) GRM2GRNSORT1SMN1; SMN2NNMT
SCHEMBL9895399 0.85 GRM2 (0.38) GRM2MAPT
SCHEMBL9894982 0.85 SMN1; SMN2 (0.35) GRM2SMN1; SMN2CYSLTR1
SCHEMBL9897058 0.84 GRM2 (0.38) GRM2MAPT
SCHEMBL9895032 0.84 L3MBTL1 (0.36) GRM2MAPT
SCHEMBL9894803 0.83 GRM2 (0.37) GRM2MAPT
SCHEMBL9896893 0.82 GRM2 (0.35) GRM2
SCHEMBL9895034 0.82 L3MBTL1 (0.48) GRM2SMN1; SMN2MAPT
SCHEMBL9896701 0.81 GRM2 (0.38) GRM2OPRM1
SCHEMBL8512806 0.79 GRM2 (0.37) GRM2MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
EP-2470527-A1 ETHER BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2012-07-04 EP claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885GRN 2116/4885SORT1 3249/4885

“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.