SCHEMBL4544208

SCHEMBL4544208

N#CN=C1N(CCCO)CCN1CCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.54
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.34
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4544206 1.00 HRH3 (0.54) HRH3MAPTTSHRKDM4EMEN1
SCHEMBL13787354 0.92 HRH3 (0.57) HRH3MAPT
Fumaric Acid SCHEMBL4562985 0.83 HRH3 (0.49) HRH3MAPTTSHRHDAC1CYP1A2
Fumaric Acid SCHEMBL4562984 0.83 HRH3 (0.49) HRH3MAPTTSHRHDAC1CYP1A2
SCHEMBL4540677 0.80 HRH3 (0.30) HRH3
SCHEMBL4540675 0.80 HRH3 (0.30) HRH3
SCHEMBL4543504 0.76 HRH3 (0.49) HRH3
SCHEMBL4543507 0.76 HRH3 (0.49) HRH3
SCHEMBL4387830 0.73 HRH3 (0.80) HRH3MAPTTSHRKDM4EMEN1
Acetonitrile SCHEMBL4297529 0.73 HRH3 (0.50) HRH3MAPTTSHRKDM4EMEN1

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 452/4885MAPT 4474/4885TSHR 656/4885

“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.