SCHEMBL4394004

SCHEMBL4394004

CC(C)N1CCC(NC(=C(C#N)C#N)N2CCC(CN3CCCC3C)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4388604 0.84 CYP2D6 (0.36) HRH3CYP2D6
SCHEMBL4383128 0.78 HRH3 (0.33) HRH3
SCHEMBL4391508 0.77 HRH3 (0.41) HRH3ALDH1A1
SCHEMBL4391499 0.77 HRH3 (0.41) HRH3ALDH1A1
SCHEMBL4394511 0.77 HRH3 (0.41) HRH3ALDH1A1
SCHEMBL4389073 0.75 HRH3 (0.38) HRH3CYP2D6ALDH1A1
SCHEMBL4384502 0.75 HRH3 (0.40) HRH3CYP2D6ALDH1A1
SCHEMBL5506488 0.74
SCHEMBL4388973 0.73 HRH3 (0.44) HRH3ALDH1A1
SCHEMBL4386328 0.71 HRH3 (0.39) 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 3 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
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 452/4885CYP2D6 1166/4885ALDH1A1 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.