SCHEMBL23928183

SCHEMBL23928183

CN(C)CCCOc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.63
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.50
LSS P48449 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LTA4H P09960 2/20 0.49
ACACB O00763 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL23928111 0.93 HRH3 (0.62) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL23928194 0.86 BCHE (0.54) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL17935564 0.85 NPC1 (0.68) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23291235 0.83 HRH3 (0.56) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL23291261 0.82 CYP1A2 (0.56) HRH3NPC1RAB9AMEN1KMT2A
SCHEMBL1309567 0.81 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23928140 0.81 KMT2A (0.59) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23928126 0.80 TAAR1 (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23928192 0.80 KMT2A (0.54) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5727784 0.80 KMT2A (0.54) NPC1RAB9AMEN1KMT2AKDM4E

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

“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.