SCHEMBL8512272

SCHEMBL8512272

O=CCN1CCN(CCOc2ccc3c(nnn3CC3CC3)c2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.43
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR1B P28222 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8514327 0.85 GRM2 (0.46) GRM2KDM4EALDH1A1
SCHEMBL8511666 0.85 GRM2 (0.46) GRM2KDM4ETDP1ALDH1A1
SCHEMBL8512264 0.85 DRD3 (0.45) GRM2KDM4ETDP1MEN1KMT2A
SCHEMBL8511653 0.85 GRM2 (0.42) GRM2KDM4ETDP1HTR1BHTR1A
SCHEMBL8508959 0.84 GRM2 (0.43) GRM2KDM4ETDP1HTR1BHTR1A
SCHEMBL8511065 0.84 GRM2 (0.45) GRM2
SCHEMBL8510198 0.82 GRM2 (0.43) GRM2HTR1AHTR7
SCHEMBL8511779 0.82 GRM2 (0.43) GRM2HTR1AHTR7
SCHEMBL8512847 0.82 GRM2 (0.46) GRM2KDM4EALDH1A1
SCHEMBL8510114 0.82 GRM2 (0.46) GRM2KDM4EMEN1KMT2AHTR1A

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 1/4885KDM4E 1441/4885TDP1 1689/4885

“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.