SCHEMBL4392430

SCHEMBL4392430

CN1CCN(CCN2CCN(CCCN3CCC(C#N)CC3)C2=C(C#N)C#N)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.61
SLC6A4 P31645 1/20 0.34
LTA4H P09960 1/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
RAD52 P43351 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
PAOX Q6QHF9 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR35 Q9HC97 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
SCHEMBL4394064 0.89 HRH3 (0.80) HRH3LTA4HMAPT
SCHEMBL4388554 0.88 HRH3 (0.61) HRH3SMN1; SMN2MAPT
SCHEMBL4394052 0.87 HRH3 (0.73) HRH3ALDH1A1PKMCSNK2A2CSNK2B
SCHEMBL4384077 0.86 HRH3 (0.56) HRH3SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL4387721 0.85 HRH3 (0.83) HRH3MAPT
SCHEMBL4385876 0.85 HRH3 (0.83) HRH3MAPT
SCHEMBL4389569 0.84 HRH3 (0.86) HRH3MAPT
SCHEMBL4384229 0.84 HRH3 (0.86) HRH3MAPT
SCHEMBL4384094 0.83 HRH3 (0.56) HRH3SLC6A4ALDH1A1SMN1; SMN2GAA
SCHEMBL4387024 0.83 HRH3 (0.82) 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 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 3875/4885LTA4H 3866/4885

“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.