SCHEMBL4389449

SCHEMBL4389449

CC1CCCN1CCCN1CCN(CCCN2CCCC2C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
HRH3 Q9Y5N1 14/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
CXCR4 P61073 4/20 0.43

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
SCHEMBL23828676 0.83 HRH3 (0.52) HRH3CXCR4
SCHEMBL23828668 0.79 HRH3 (0.52) HRH3CXCR4
SCHEMBL23828666 0.77 HRH3 (0.50) HRH3CXCR4
SCHEMBL23828669 0.77 CXCR4 (0.57) ACHEHRH3CXCR4
SCHEMBL4389555 0.76 HRH3 (0.43) ACHEHRH3KCNH2CXCR4
SCHEMBL2116772 0.76 HRH3 (0.46) HRH3CXCR4
SCHEMBL13788001 0.75 HRH3 (0.84) ACHEHRH3
SCHEMBL13787355 0.75 HRH3 (0.51) ACHEHRH3CXCR4
SCHEMBL13788000 0.75 HRH3 (0.84) ACHEHRH3
SCHEMBL4394487 0.75 HRH3 (0.84) ACHEHRH3

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 4 patents. 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
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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 ACHE 2900/4885HRH3 452/4885DRD2 83/4885

“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.