SCHEMBL6470622

SCHEMBL6470622

C1CCC(N[C]2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PDE4A P27815 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
NUDT1 P36639 1/20 0.33
CTSK P43235 1/20 0.33
PIM1 P11309 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6471269 0.83 HSD17B10 (0.45) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL25397796 0.80 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL1827996 0.80 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL25400969 0.80 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL6470850 0.80
SCHEMBL27836867 0.78 KDM4E (0.39) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL1049524 0.75 KDM4E (0.38) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL25398402 0.72 KDM4E (0.34) ADRA2AADRA2BADRA2CADRA1AKDM4E
SCHEMBL1001637 0.65 ALDH1A1 (0.67) KDM4EALDH1A1HSD17B10MAPK1MAPT
SCHEMBL13734556 0.64

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins JANSSEN PHARAMACEUTICA, N.V. (BE) 2005-09-01 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 (1 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-20050192279-A1 Pyridazinones as antagonists of alpha4 integrins ITGB4, ITGA4, ITGB5 ADRA2A 153/4885ADRA2B 79/4885ADRA2C 116/4885

“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.