SCHEMBL23928111

SCHEMBL23928111

CN(C)CCOc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.62
LTA4H P09960 2/20 0.54
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ACACB O00763 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
KCNH2 Q12809 2/20 0.49
LMNA P02545 1/20 0.49
ACHE P22303 1/20 0.49
SLC6A2 P23975 1/20 0.49

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
SCHEMBL23928183 0.93 HRH3 (0.63) HRH3LTA4HMEN1KMT2ANPC1
SCHEMBL23291261 0.86 CYP1A2 (0.56) HRH3LTA4HMEN1KMT2ANPC1
SCHEMBL23755008 0.85 HRH3 (0.60) HRH3LTA4HKEAP1NFE2L2SMN1; SMN2
SCHEMBL17935564 0.84 NPC1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23291287 0.83 HRH3 (0.55) HRH3LTA4HKEAP1NFE2L2KMT2A
SCHEMBL1309567 0.82 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23928140 0.82 KMT2A (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23928194 0.82 BCHE (0.54) HRH3MEN1KMT2ANPC1RAB9A
SCHEMBL23928126 0.81 TAAR1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23928192 0.81 KMT2A (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 1029/4885KEAP1 2134/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HRH3 416/4885LTA4H 1029/4885KEAP1 2134/4885

“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.