SCHEMBL4383979

SCHEMBL4383979

N#CC(C#N)=C1N(CCCN2CCOCC2)CCN1CCN1CCOCC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.75
KEAP1 Q14145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HDAC1 Q13547 1/20 0.38
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4391533 0.94 HRH3 (0.86) HRH3KDM4EMAPT
SCHEMBL4383205 0.94 HRH3 (0.86) HRH3KDM4EMAPT
SCHEMBL4383870 0.94 HRH3 (0.81) HRH3KEAP1SMN1; SMN2KDM4EMAPT
SCHEMBL4382183 0.93 HRH3 (0.83) HRH3KDM4EMAPT
SCHEMBL4388554 0.89 HRH3 (0.61) HRH3KEAP1SMN1; SMN2KDM4EMAPT
SCHEMBL4383188 0.87 HRH3 (0.59) HRH3KDM4EMAPTHRH2HRH1
SCHEMBL4395364 0.87 HRH3 (0.59) HRH3KDM4EMAPTTSHR
SCHEMBL4392313 0.87 HRH3 (0.59) HRH3KDM4EMAPTTSHR
SCHEMBL4383239 0.87 HRH3 (0.97) HRH3MAPT
SCHEMBL4384189 0.86 HRH3 (1.00) HRH3MAPT

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

“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.