SCHEMBL4543504

SCHEMBL4543504

CC1CCCN1CCCN1CCN(CCCO)/C1=N/C#N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.49
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
ACHE P22303 1/20 0.35
CXCR4 P61073 3/20 0.34

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
SCHEMBL4543507 1.00 HRH3 (0.49) HRH3HRH2HRH1ACHECXCR4
SCHEMBL13787355 0.94 HRH3 (0.51) HRH3HRH2HRH1ACHECXCR4
Fumaric Acid SCHEMBL4544046 0.86 HRH3 (0.45) HRH3HRH2HRH1ACHE
Fumaric Acid SCHEMBL4544051 0.86 HRH3 (0.45) HRH3HRH2HRH1ACHE
SCHEMBL4383218 0.81 HRH3 (0.76) HRH3HRH2HRH1ACHE
SCHEMBL4387149 0.81 HRH3 (0.76) HRH3HRH2HRH1ACHE
SCHEMBL4394330 0.78 HRH3 (0.40) HRH3ACHE
SCHEMBL737100 0.78 HRH3 (0.46) HRH3CXCR4
SCHEMBL1377295 0.78 HRH3 (0.46) HRH3CXCR4
SCHEMBL737684 0.78 HRH3 (0.46) HRH3CXCR4

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885HRH2 391/4885HRH1 547/4885

“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.