SCHEMBL8511779

SCHEMBL8511779

N#CC1CCN(CCOc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.43
LTA4H P09960 1/20 0.41
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.35
HTR1A P08908 1/20 0.32
HTR7 P34969 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
SCHEMBL8508986 0.95 GRM2 (0.43) GRM2LTA4HJAK2JAK1TYK2
SCHEMBL8512822 0.86 GRM2 (0.41) GRM2JAK2JAK1TYK2JAK3
SCHEMBL8514327 0.85 GRM2 (0.46) GRM2
SCHEMBL8511666 0.85 GRM2 (0.46) GRM2LTA4H
SCHEMBL8510198 0.84 GRM2 (0.43) GRM2JAK2JAK1TYK2HTR1A
SCHEMBL8509532 0.84 GRM2 (0.40) GRM2
SCHEMBL8511065 0.84 GRM2 (0.45) GRM2JAK2JAK1TYK2JAK3
SCHEMBL8511071 0.83 JAK2 (0.44) GRM2JAK2JAK1
SCHEMBL8512272 0.82 GRM2 (0.43) GRM2HTR1AHTR7
SCHEMBL8508959 0.82 GRM2 (0.43) GRM2HTR1AHTR7

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 GRM2 1/4885LTA4H 3170/4885JAK2 974/4885

“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.