SCHEMBL23928193

SCHEMBL23928193

CN(C)CCNc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CNR1 P21554 3/20 0.43
FFAR1 O14842 1/20 0.42
RAB9A P51151 2/20 0.42
MCHR1 Q99705 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR3 P25089 1/20 0.42
KDM4E B2RXH2 1/20 0.41
F13A1 P00488 1/20 0.41
MAPT P10636 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40

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
SCHEMBL23291263 0.81 NAMPT (0.53) HRH3CA1CA2CA12MAPT
SCHEMBL23928207 0.81 NPC1 (0.47) CA2CA12CNR1FFAR1RAB9A
SCHEMBL23291226 0.79 MAPT (0.48) CNR1FFAR1RAB9AMEN1KMT2A
SCHEMBL23928122 0.77 CNR1 (0.49) CA2CA12CNR1RAB9AKMT2A
SCHEMBL23928111 0.77 HRH3 (0.62) HRH3RAB9AMEN1KMT2AKDM4E
SCHEMBL23928190 0.76 HRH3 (0.45) HRH3KDM4E
SCHEMBL4135587 0.76 LMNA (0.51) HRH3CNR1RAB9AKDM4E
SCHEMBL23928183 0.75 HRH3 (0.63) HRH3RAB9AMEN1KMT2AKDM4E
SCHEMBL28255137 0.75 CNR1 (0.46) CA1CA2CA12CNR1FFAR1
SCHEMBL4584283 0.75 NPC1 (0.64) CA1CA2CA12CNR1RAB9A

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 416/4885CA1 1788/4885CA2 2300/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HRH3 416/4885CA1 1788/4885CA2 2300/4885

“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.