SCHEMBL4381114

SCHEMBL4381114

N#CC(C#N)=C(NCCCN1CCCCC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
L3MBTL3 Q96JM7 2/20 0.51
RAD52 P43351 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
SLC2A1 P11166 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL4383145 1.00 L3MBTL1 (0.51) L3MBTL1L3MBTL3RAD52DRD2DRD3
SCHEMBL4383372 0.92 L3MBTL3 (0.42) L3MBTL1L3MBTL3DRD2DRD3TSHR
SCHEMBL4383440 0.92 L3MBTL3 (0.44) L3MBTL1L3MBTL3CYP3A4TSHRSMN1; SMN2
SCHEMBL4388125 0.92 GAA (0.45) L3MBTL1L3MBTL3TSHRSMN1; SMN2MEN1
SCHEMBL4382122 0.91 CYP1A2 (0.43) L3MBTL1L3MBTL3RAD52DRD2DRD3
SCHEMBL4388918 0.88 L3MBTL3 (0.41) L3MBTL1L3MBTL3DRD2DRD3CYP1A2
SCHEMBL4394086 0.87 L3MBTL3 (0.37) L3MBTL1L3MBTL3DRD2DRD3MEN1
SCHEMBL4384521 0.86 L3MBTL3 (0.39) L3MBTL1L3MBTL3DRD2DRD3CYP1A2
SCHEMBL4389771 0.85 RAD52 (0.38) L3MBTL1L3MBTL3RAD52CYP1A2CYP2D6
SCHEMBL4386340 0.84 HRH3 (0.39) L3MBTL1L3MBTL3CYP1A2CYP2D6CYP3A4

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 L3MBTL1 2665/4885L3MBTL3 1965/4885RAD52 945/4885

“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.