SCHEMBL4394052

SCHEMBL4394052

CN1CCN(CCCN2CCN(CCCN3CCN(C)CC3)C2=C(C#N)C#N)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.73
PAOX Q6QHF9 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
KDM1A O60341 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL4387024 0.95 HRH3 (0.82) HRH3
SCHEMBL4384570 0.94 HRH3 (0.85) HRH3
SCHEMBL4383864 0.94 HRH3 (0.85) HRH3
SCHEMBL4385876 0.93 HRH3 (0.83) HRH3
SCHEMBL4387721 0.93 HRH3 (0.83) HRH3
SCHEMBL4389569 0.91 HRH3 (0.86) HRH3
SCHEMBL4384229 0.91 HRH3 (0.86) HRH3
SCHEMBL4382138 0.88 HRH3 (0.58) HRH3CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL4392430 0.87 HRH3 (0.61) HRH3PAOXCSNK2A2CSNK2BCSNK2A1
SCHEMBL4395871 0.87 HRH3 (0.57) HRH3SIGMAR1KDM1A

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 452/4885PAOX 3579/4885CSNK2A2 4549/4885

“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.