SCHEMBL23928135

SCHEMBL23928135

O=C(O)NCCc1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.68
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
ACHE P22303 1/20 0.59
RAD52 P43351 1/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL23291212 0.99 HRH3 (0.66) HRH3POLBMAPTSMN1; SMN2NPC1
SCHEMBL23928172 0.94 LTA4H (0.63) HRH3KDM4EALDH1A1
SCHEMBL23928236 0.94 LTA4H (0.63) HRH3KDM4EALDH1A1
SCHEMBL23928153 0.92 LTA4H (0.64) HRH3KDM4E
SCHEMBL23928134 0.89 RAB9A (0.56) HRH3NPC1RAB9AALDH1A1
SCHEMBL23291288 0.88 EPHX2 (0.60) HRH3SMN1; SMN2ACHEKDM4EALDH1A1
SCHEMBL23291184 0.84 HRH3 (0.63) HRH3POLBMAPTACHERAD52
SCHEMBL23291236 0.82 LTA4H (0.59) RAB9AACHEKDM4EALDH1A1
SCHEMBL23291302 0.82 HRH3 (0.61) HRH3POLBMAPT
SCHEMBL23928240 0.81 LTA4H (0.60) HRH3POLBSMN1; SMN2NPC1RAB9A

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 416/4885POLB 4559/4885MAPT 3868/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HRH3 416/4885POLB 4559/4885MAPT 3868/4885

“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.