SCHEMBL8514949

SCHEMBL8514949

OS1(O)CCN(CCCOc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.43
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL8514943 0.90 GRM2 (0.43) GRM2KDM4EALDH1A1LMNAMEN1
SCHEMBL8512847 0.88 GRM2 (0.46) GRM2KDM4EALDH1A1
SCHEMBL8509663 0.86 GRM2 (0.45) GRM2KDM4EALDH1A1LMNAMEN1
SCHEMBL8512726 0.86 KDM4E (0.46) GRM2KDM4EALDH1A1
SCHEMBL8509147 0.85 GRM2 (0.44) GRM2KDM4EALDH1A1LMNAMEN1
SCHEMBL8512902 0.85 GRM2 (0.44) GRM2KDM4EALDH1A1LMNAMEN1
SCHEMBL8513688 0.84 GRM2 (0.41) GRM2KDM4EALDH1A1
SCHEMBL8513246 0.83 GRM2 (0.43) GRM2KDM4EALDH1A1LMNAMEN1
SCHEMBL8508986 0.83 GRM2 (0.43) GRM2KDM4EALDH1A1LMNAMEN1
SCHEMBL8512401 0.83 GRM2 (0.46) GRM2KDM4EALDH1A1LMNAMEN1

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 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-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 1/4885KDM4E 1441/4885ALDH1A1 3327/4885

“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.