SCHEMBL23928134

SCHEMBL23928134

CN1CCN(CCCOc2ccc(CCNC(=O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
HRH3 Q9Y5N1 8/20 0.55
NPC1 O15118 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
LTA4H P09960 1/20 0.51
CACNA1F O60840 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
DRD2 P14416 1/20 0.50
TACR2 P21452 1/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
TACR1 P25103 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50

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
SCHEMBL23291236 0.94 LTA4H (0.59) RAB9ALTA4HDRD3ALDH1A1
SCHEMBL23291212 0.90 HRH3 (0.66) RAB9AHRH3NPC1LTA4HALDH1A1
SCHEMBL23928135 0.89 HRH3 (0.68) RAB9AHRH3NPC1ALDH1A1
SCHEMBL23291288 0.87 EPHX2 (0.60) HRH3HTR2ASIGMAR1USP2ALDH1A1
SCHEMBL23291170 0.85 SIGMAR1 (0.55) RAB9AHRH3ITGB3ITGA2BDRD2
SCHEMBL23928153 0.84 LTA4H (0.64) HRH3LTA4H
SCHEMBL23928172 0.82 LTA4H (0.63) HRH3LTA4HALDH1A1
SCHEMBL23928236 0.82 LTA4H (0.63) HRH3LTA4HALDH1A1
SCHEMBL23928240 0.81 LTA4H (0.60) RAB9AHRH3NPC1LTA4HALDH1A1
SCHEMBL17935564 0.80 NPC1 (0.68) RAB9ANPC1ALDH1A1

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 RAB9A 2869/4885HRH3 416/4885NPC1 1520/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 RAB9A 2869/4885HRH3 416/4885NPC1 1520/4885

“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.