SCHEMBL9926889

SCHEMBL9926889

CC(C)(C)OC(=O)NCc1cc(Cl)cnc1Oc1ccc2c(nnn2CC2CC2)c1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 8/20 0.38
EPAS1 Q99814 1/20 0.36
DRD2 P14416 3/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
ENPP2 Q13822 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
PTGES O14684 1/20 0.32
IGF1R P08069 1/20 0.32
BRD4 O60885 1/20 0.32
PTGER1 P34995 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 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
SCHEMBL9926867 0.90 GRM2 (0.38) GRM2HTR2AHTR2CSLC6A4
SCHEMBL9896347 0.90 GRM2 (0.40) GRM2HTR2AHTR2CSLC6A4
SCHEMBL9896878 0.90 GRM2 (0.40) GRM2HTR2AHTR2CSLC6A4
SCHEMBL9926787 0.84 GRM2 (0.46) GRM2HTR2AHTR2CSLC6A4
SCHEMBL9896564 0.84 GRM2 (0.35) GRM2HTR2AHTR2CSLC6A4
SCHEMBL9896286 0.84 ALDH1A1 (0.36) GRM2PTGER1
SCHEMBL9895280 0.84 CNR1 (0.39) GRM2ENPP2
SCHEMBL9896744 0.83 GRM2 (0.45) GRM2HTR2AHTR2CSLC6A4
SCHEMBL9895978 0.82 GRM2 (0.38) GRM2
SCHEMBL9896457 0.81 GRM2 (0.37) GRM2DRD2

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 2 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 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 1/4885EPAS1 2161/4885DRD2 155/4885

“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.