SCHEMBL4384077

SCHEMBL4384077

CC1CC(C)CN(CCN2CCN(CCCN3CCC(C#N)CC3)C2=C(C#N)C#N)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.56
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL4383771 0.91 HRH3 (0.63) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4389440 0.89 HRH3 (0.58) HRH3HRH2HRH1
SCHEMBL4396189 0.88 HRH3 (0.73) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4396186 0.88 HRH3 (0.73) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4383854 0.88 HRH3 (0.61) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4389078 0.87 HRH3 (0.76) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4383193 0.87 HRH3 (0.60) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4392313 0.86 HRH3 (0.59) HRH3ALDH1A1
SCHEMBL4395364 0.86 HRH3 (0.59) HRH3ALDH1A1
SCHEMBL4392430 0.86 HRH3 (0.61) HRH3SLC6A4ALDH1A1SMN1; SMN2

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 452/4885SLC6A4 3875/4885ALDH1A1 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.