SCHEMBL4389717

SCHEMBL4389717

N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1C1CCN(C2CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.65
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PARP1 P09874 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4384351 0.89 HRH3 (0.67) HRH3PARP1
SCHEMBL4393985 0.88 HRH3 (0.50) HRH3CYP3A4CYP2C9L3MBTL3
SCHEMBL13788008 0.88 HRH3 (0.49) HRH3
SCHEMBL4389793 0.88 HRH3 (0.65) HRH3PARP1L3MBTL1
SCHEMBL4388629 0.87 HRH3 (0.64) HRH3
SCHEMBL4383749 0.86 HRH3 (0.62) HRH3
SCHEMBL4388628 0.86 HRH3 (0.65) HRH3
SCHEMBL4388559 0.85 HRH3 (0.61) HRH3
SCHEMBL4392499 0.85 HRH3 (0.43) HRH3
Hydrochloric Acid SCHEMBL4391289 0.85 HRH3 (0.64) 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 4 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
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 452/4885CYP3A4 3442/4885CYP2C9 3694/4885

“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.