SCHEMBL4388628

SCHEMBL4388628

N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1C1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.65
MAPT P10636 1/20 0.34
CXCR4 P61073 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL4391289 0.99 HRH3 (0.64) HRH3MAPTCXCR4CTSKALDH1A1
SCHEMBL4392329 0.88 HRH3 (0.50) HRH3MAPTCTSKALDH1A1
SCHEMBL14401651 0.88 HRH3 (0.49) HRH3ALDH1A1
SCHEMBL14401650 0.87 HRH3 (0.48) HRH3ALDH1A1
SCHEMBL4384351 0.87 HRH3 (0.67) HRH3MAPTCTSK
SCHEMBL4389717 0.86 HRH3 (0.65) HRH3
SCHEMBL4389793 0.86 HRH3 (0.65) HRH3MAPTCTSK
SCHEMBL4388629 0.85 HRH3 (0.64) HRH3MAPTCTSK
Hydrochloric Acid SCHEMBL4393468 0.84 HRH3 (0.42) HRH3
SCHEMBL4383749 0.84 HRH3 (0.62) HRH3MAPTCTSK

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 3 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
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 452/4885MAPT 4474/4885CXCR4 1707/4885

“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.