SCHEMBL8512346

SCHEMBL8512346

CC(C)(C)Cn1nnc2c(Br)c(OCc3ccccc3C(F)(F)F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GRM2 Q14416 2/20 0.38
MAOB P27338 2/20 0.36
PTPN1 P18031 1/20 0.36
MAOA P21397 1/20 0.36
IDO1 P14902 2/20 0.36
PLK1 P53350 9/20 0.35
SLC6A4 P31645 1/20 0.35
IKBKE Q14164 1/20 0.35
CSF1R P07333 3/20 0.35
KDR P35968 3/20 0.35
NEK2 P51955 3/20 0.35
LIMK1 P53667 3/20 0.35
STK3 Q13188 3/20 0.35
DYRK1A Q13627 3/20 0.35
BRSK1 Q8TDC3 3/20 0.35
PLK3 Q9H4B4 3/20 0.35
CLK4 Q9HAZ1 3/20 0.35
MAP4K5 Q9Y4K4 3/20 0.35

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
SCHEMBL8510785 0.87 GRM2 (0.45) GRM2SLC6A4
SCHEMBL8510467 0.87 GRM2 (0.39) FFAR4GRM2IDO1MAPK1
SCHEMBL8513028 0.85 PTGER1 (0.39) FFAR1FFAR4GRM2SLC6A4
SCHEMBL8513629 0.82 BRD4 (0.43) GRM2MAPK1
SCHEMBL8508974 0.82 GRM2 (0.35) FFAR1GRM2
SCHEMBL9896437 0.81 KCNH2 (0.38) GRM2SLC6A4ATM
SCHEMBL8510372 0.80 GRM2 (0.38) GRM2
SCHEMBL8509756 0.80 PTGER1 (0.41) FFAR4GRM2PTPN1IDO1SLC6A4
SCHEMBL8510317 0.80 SYK (0.38) GRM2AURKBEGFRERBB2
SCHEMBL8511997 0.78 GRM2 (0.34) 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 FFAR1 257/4885FFAR4 315/4885GRM2 1/4885

“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.