SCHEMBL4386731

SCHEMBL4386731

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.58
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
HPGD P15428 1/20 0.38
MAOB P27338 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 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 0.84 HRH3 (0.67) HRH3
SCHEMBL4389793 0.83 HRH3 (0.65) HRH3KMT2AMEN1L3MBTL1
SCHEMBL4389717 0.83 HRH3 (0.65) HRH3L3MBTL1
SCHEMBL4382296 0.83 HRH3 (0.53) HRH3ALDH1A1HPGDKMT2AMEN1
SCHEMBL4388629 0.82 HRH3 (0.64) HRH3
SCHEMBL4383749 0.81 HRH3 (0.62) HRH3
SCHEMBL4388628 0.81 HRH3 (0.65) HRH3ALDH1A1
SCHEMBL4388559 0.81 HRH3 (0.61) HRH3
Hydrochloric Acid SCHEMBL4391289 0.80 HRH3 (0.64) HRH3ALDH1A1
SCHEMBL4394460 0.80 HRH3 (0.57) HRH3MAOBKMT2AMEN1L3MBTL1

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 452/4885ALDH1A1 395/4885BLM 199/4885

“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.