SCHEMBL8511653

SCHEMBL8511653

CS(=O)(=O)N1CCN(CCOc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.42
HTR2A P28223 1/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL8511974 0.95 GRM2 (0.41) GRM2LMNAKDM4E
SCHEMBL8512264 0.85 DRD3 (0.45) GRM2HTR2AHTR1BKDM4ETDP1
SCHEMBL8511132 0.85 HTR3A (0.40) GRM2LMNA
SCHEMBL8512272 0.85 GRM2 (0.43) GRM2HTR1AHTR1BHTR7KDM4E
SCHEMBL8511666 0.83 GRM2 (0.46) GRM2KDM4ETDP1
SCHEMBL8514327 0.83 GRM2 (0.46) GRM2KDM4E
SCHEMBL8513323 0.83 GRM2 (0.47) GRM2
SCHEMBL8508959 0.83 GRM2 (0.43) GRM2HTR1AHTR1DHTR1BHTR7
SCHEMBL8511065 0.82 GRM2 (0.45) GRM2
SCHEMBL8510114 0.82 GRM2 (0.46) GRM2HTR1AHTR7KDM4E

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 1/4885HTR2A 179/4885HTR1A 320/4885

“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.