SCHEMBL4391564

SCHEMBL4391564

N#CC(C#N)=C1N(CCCN2CCOCC2)CCN1C1CCN(CCF)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
CTSK P43235 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL4388629 0.89 HRH3 (0.64) HRH3CTSKMAPT
SCHEMBL4393985 0.88 HRH3 (0.50) HRH3SMN1; SMN2KEAP1CTSKKDM4E
SCHEMBL4392329 0.85 HRH3 (0.50) HRH3SMN1; SMN2KEAP1CTSKKDM4E
SCHEMBL4383770 0.85 HRH3 (0.47) HRH3CTSKCYP1A2CYP2D6
SCHEMBL4387729 0.83 HRH3 (0.44) HRH3SMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL4383979 0.79 HRH3 (0.75) HRH3SMN1; SMN2KEAP1KDM4EMAPT
SCHEMBL4389793 0.78 HRH3 (0.65) HRH3CTSKMAPTMEN1KMT2A
SCHEMBL4388554 0.78 HRH3 (0.61) HRH3SMN1; SMN2KEAP1CTSKKDM4E
SCHEMBL4382171 0.77 HRH3 (0.60) HRH3CTSKMAPT
SCHEMBL4384351 0.77 HRH3 (0.67) HRH3CTSKMAPT

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 452/4885SMN1; SMN2 3979/4885KEAP1 634/4885

“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.