SCHEMBL4387830

SCHEMBL4387830

N#CC(C#N)=C1N(CCCO)CCCN1CCCN1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.80
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4385818 0.94 HRH3 (0.90) HRH3MAPTPOLB
SCHEMBL4383391 0.90 HRH3 (0.88) HRH3MAPT
SCHEMBL4387804 0.90 HRH3 (0.83) HRH3MAPTKDM4EMEN1TSHR
SCHEMBL4387811 0.89 HRH3 (1.00) HRH3MAPT
SCHEMBL4388303 0.89 HRH3 (1.00) HRH3MAPT
SCHEMBL4394477 0.89 HRH3 (1.00) HRH3MAPT
SCHEMBL4395380 0.89 HRH3 (1.00) HRH3MAPT
SCHEMBL4388618 0.88 HRH3 (0.80) HRH3MAPTKDM4EMEN1TSHR
SCHEMBL4393383 0.88 HRH3 (1.00) HRH3MAPT
SCHEMBL4381820 0.88 HRH3 (0.97) HRH3MAPTPOLB

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 452/4885MAPT 4474/4885KDM4E 418/4885

“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.