SCHEMBL9604224

SCHEMBL9604224

CC(C)(C)Cn1nnc2c(Br)c(OCc3ccc(C#N)c(F)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.35
GRM2 Q14416 3/20 0.34
AR P10275 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
XDH P47989 3/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL8511915 0.80 F2RL3 (0.39) GRM2
SCHEMBL8513629 0.78 BRD4 (0.43) GRM2
SCHEMBL8511759 0.78 GRM2 (0.37) GRM2
SCHEMBL8510325 0.78 GRM2 (0.35) GRM2MAOB
SCHEMBL8509756 0.78 PTGER1 (0.41) GRM2
SCHEMBL9604222 0.78 GRM2 (0.42) GRM2MAOB
SCHEMBL9604223 0.78 GRM2 (0.36) GRM2
SCHEMBL8513043 0.78 GRM2 (0.37) GRM2
SCHEMBL8510785 0.77 GRM2 (0.45) GRM2
SCHEMBL8512575 0.77 CTSS (0.42) 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 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 CACNA1H 705/4885GRM2 1/4885AR 2682/4885

“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.