SCHEMBL4382211

SCHEMBL4382211

N#CC(C#N)=C(NCCCN1CCCCC1)N1CCCC1CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.43
RAD52 P43351 1/20 0.38
KCNH2 Q12809 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4382208 1.00 HRH3 (0.43) HRH3RAD52KCNH2TP53CYP1A2
SCHEMBL4389771 0.79 RAD52 (0.38) HRH3RAD52TP53CYP1A2CYP3A4
SCHEMBL4383145 0.74 L3MBTL1 (0.51) HRH3RAD52TP53CYP1A2CYP3A4
SCHEMBL4381114 0.74 L3MBTL1 (0.51) HRH3RAD52TP53CYP1A2CYP3A4
SCHEMBL4382122 0.73 CYP1A2 (0.43) RAD52TP53CYP1A2CYP3A4CYP2D6
SCHEMBL4385695 0.72 HRH3 (0.45) HRH3RAD52TP53CYP1A2CYP3A4
SCHEMBL4389855 0.71 HRH3 (0.37) HRH3RAD52TP53CYP1A2CYP3A4
SCHEMBL4384271 0.71 CHRM5 (0.40) TP53TSHRSMN1; SMN2
SCHEMBL4386534 0.70 CA12 (0.44) HRH3RAD52TP53CYP1A2CYP3A4
SCHEMBL4396981 0.70 HRH3 (0.43) HRH3CYP1A2CYP3A4CYP2D6TSHR

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 452/4885RAD52 945/4885KCNH2 1776/4885

“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.