SCHEMBL23928236

SCHEMBL23928236

O=C(O)NCCc1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.63
PSMB1 P20618 2/20 0.59
PSMB5 P28074 2/20 0.59
PSMB2 P49721 2/20 0.59
KDM4E B2RXH2 3/20 0.59
HRH3 Q9Y5N1 6/20 0.58
EPHX2 P34913 1/20 0.57
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL23928172 1.00 LTA4H (0.63) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL23928153 0.99 LTA4H (0.64) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL23928135 0.94 HRH3 (0.68) KDM4EHRH3ALDH1A1
SCHEMBL23291212 0.92 HRH3 (0.66) LTA4HKDM4EHRH3ALDH1A1
SCHEMBL23291236 0.89 LTA4H (0.59) LTA4HKDM4EALDH1A1
SCHEMBL23928240 0.88 LTA4H (0.60) LTA4HKDM4EHRH3EPHX2ALDH1A1
SCHEMBL23928237 0.85 HRH3 (0.50) LTA4HKDM4EHRH3EPHX2HTT
SCHEMBL23928246 0.84 KDM4E (0.50) LTA4HKDM4EHRH3EPHX2HTT
SCHEMBL23928189 0.84 LTA4H (0.47) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL23291176 0.83 HRH3 (0.55) LTA4HPSMB1PSMB5PSMB2KDM4E

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 LTA4H 1029/4885PSMB1 3904/4885PSMB5 1483/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 LTA4H 1029/4885PSMB1 3904/4885PSMB5 1483/4885

“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.