SCHEMBL4388568

SCHEMBL4388568

C[C@@H]1CCCN1CCCN1CCN(CCCO[Si](C)(C)C(C)(C)C)/C1=C(/C#N)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
KCNH2 Q12809 3/20 0.37
MAOB P27338 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL4388571 1.00 HRH3 (0.40) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4388105 0.97 HRH3 (0.44) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4388102 0.97 HRH3 (0.44) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4388413 0.88 HRH3 (0.50) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4385874 0.88 HRH3 (0.50) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4389575 0.88 HRH3 (0.50) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4390592 0.88 HRH3 (0.50) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4389577 0.88 HRH3 (0.50) HRH3SCN1ASCN2ASCN3AKCNH2
Hydrochloric Acid SCHEMBL4385829 0.87 HRH3 (0.49) HRH3SCN1ASCN2ASCN3AKCNH2
SCHEMBL4382832 0.86 HRH3 (0.54) HRH3SCN1ASCN2ASCN3AKCNH2

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-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 HRH3 452/4885SCN1A 4418/4885SCN2A 4365/4885

“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.