SCHEMBL23928237

SCHEMBL23928237

O=C(O)NCCc1ccc(OCCN2CCC(F)(F)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
LTA4H P09960 6/20 0.48
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
MAPT P10636 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MC4R P32245 1/20 0.44
EPHX2 P34913 1/20 0.44
HTT P42858 1/20 0.44
FAAH O00519 1/20 0.43
ACHE P22303 1/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
ADAM17 P78536 2/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL23291194 0.93 LTA4H (0.43) HRH3LTA4HGRIN2DGRIN3BMAPT
SCHEMBL23928189 0.87 LTA4H (0.47) HRH3LTA4HMC4REPHX2HTT
SCHEMBL23928153 0.87 LTA4H (0.64) HRH3LTA4HEPHX2HTTKDM4E
SCHEMBL23291157 0.86 DRD2 (0.47) HRH3
SCHEMBL23928172 0.85 LTA4H (0.63) HRH3LTA4HEPHX2HTTKDM4E
SCHEMBL23928236 0.85 LTA4H (0.63) HRH3LTA4HEPHX2HTTKDM4E
SCHEMBL23291236 0.84 LTA4H (0.59) LTA4HFAAHACHECHRM5CHRM3
SCHEMBL23928240 0.83 LTA4H (0.60) HRH3LTA4HEPHX2KDM4EMEN1
SCHEMBL23928196 0.81 MC4R (0.50) HRH3LTA4HMAPTMC4RKDM4E
SCHEMBL23291212 0.81 HRH3 (0.66) HRH3LTA4HMAPTACHEKDM4E

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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 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 (2 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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 HRH3 416/4885LTA4H 1029/4885GRIN2D 140/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HRH3 416/4885LTA4H 1029/4885GRIN2D 140/4885

“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.