SCHEMBL4384094

SCHEMBL4384094

N#CC(C#N)=C1N(CCCN2CCC(C#N)CC2)CCN1CCN1CCC(C(N)=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.56
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL4387966 0.90 HRH3 (0.72) HRH3SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4389026 0.85 HRH3 (0.52) HRH3SMN1; SMN2ALDH1A1HSD17B10DRD2
SCHEMBL4394064 0.84 HRH3 (0.80) HRH3
SCHEMBL4383126 0.84 HRH3 (0.51) HRH3SMN1; SMN2ALDH1A1HSD17B10CHRM5
SCHEMBL4392430 0.83 HRH3 (0.61) HRH3SMN1; SMN2ALDH1A1SLC6A4GAA
SCHEMBL4388554 0.83 HRH3 (0.61) HRH3SMN1; SMN2CYP2D6HRH1
SCHEMBL4383368 0.82 HRH3 (0.66) HRH3SMN1; SMN2
SCHEMBL4384077 0.80 HRH3 (0.56) HRH3SMN1; SMN2ALDH1A1SLC6A4HRH1
SCHEMBL4395890 0.79 HRH3 (0.55) HRH3
SCHEMBL4383239 0.74 HRH3 (0.97) HRH3

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 1 patent. 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

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 3979/4885ALDH1A1 395/4885

“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.