SCHEMBL9604222

SCHEMBL9604222

CC(C)(C)Cn1nnc2c(Br)c(OCc3cccc(-c4cccc(F)c4)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.42
MPO P05164 1/20 0.41
SLC6A4 P31645 5/20 0.39
MAPK14 Q16539 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR1 O14842 1/20 0.35
MAOB P27338 1/20 0.34
F2 P00734 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
HTR6 P50406 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL8512353 0.89 GRM2 (0.38) GRM2MPOSLC6A4FFAR1F2
SCHEMBL8511763 0.88 GRM2 (0.55) GRM2MRGPRX4
SCHEMBL8511759 0.86 GRM2 (0.37) GRM2MPOSLC6A4MAPTF2
SCHEMBL8510325 0.85 GRM2 (0.35) GRM2SLC6A4MAOBMRGPRX4
SCHEMBL8509613 0.85 CYP4F2 (0.38) GRM2FFAR1F2MRGPRX4
SCHEMBL8510782 0.84 GRM2 (0.37) GRM2MPOF2MRGPRX4
SCHEMBL9604223 0.84 GRM2 (0.36) GRM2MAPTF2MRGPRX4
SCHEMBL9604221 0.83 ENPP2 (0.38) GRM2SLC6A4MRGPRX4
SCHEMBL8513629 0.83 BRD4 (0.43) GRM2MAPK14CYP1A2MAPT
SCHEMBL8511096 0.82 MCL1 (0.43) GRM2MRGPRX4

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-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

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 1/4885MPO 2843/4885SLC6A4 361/4885

“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.