SCHEMBL4383749

SCHEMBL4383749

N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1C1CCN(CC2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.62
HRH1 P35367 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
MAPT P10636 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL4389793 0.88 HRH3 (0.65) HRH3MAPTCTSK
SCHEMBL4388629 0.87 HRH3 (0.64) HRH3MAPTCTSK
SCHEMBL4384351 0.87 HRH3 (0.67) HRH3MAPTCTSK
SCHEMBL4389717 0.86 HRH3 (0.65) HRH3
SCHEMBL4382171 0.84 HRH3 (0.60) HRH3MAPTCTSK
SCHEMBL4386700 0.84 HRH3 (0.60) HRH3MAPTCTSK
SCHEMBL4388628 0.84 HRH3 (0.65) HRH3MAPTCTSK
SCHEMBL4388559 0.83 HRH3 (0.61) HRH3MAPT
Hydrochloric Acid SCHEMBL4391289 0.83 HRH3 (0.64) HRH3MAPTCTSK
SCHEMBL4382972 0.82 HRH3 (0.56) HRH3

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 452/4885HRH1 547/4885CHRM5 3355/4885

“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.