SCHEMBL4383438

SCHEMBL4383438

N#CC(C#N)=CN1CCC(N2CCOCC2)CC1NCCCN1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
EPHX1 P07099 1/20 0.34
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
DUSP3 P51452 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 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
SCHEMBL5507051 0.86 CYP2C19 (0.40) HRH3CYP2C19L3MBTL3L3MBTL1
SCHEMBL4384524 0.74
SCHEMBL4383440 0.70 L3MBTL3 (0.44) HRH3CYP3A4CYP2C9SMN1; SMN2LMNA
SCHEMBL4388125 0.65 GAA (0.45) SMN1; SMN2LMNAGAAEPHX1TSHR
SCHEMBL5507934 0.65 L3MBTL3 (0.38) HRH3CYP3A4CYP2C9GAAEPHX1
SCHEMBL6977293 0.61 LMNA (0.47) HRH3CYP2C9SMN1; SMN2LMNAGAA
SCHEMBL13045564 0.60 GAA (0.62) SMN1; SMN2LMNAGAAEPHX1TSHR
SCHEMBL13771289 0.60 GAA (0.62) SMN1; SMN2LMNAGAAEPHX1TSHR
SCHEMBL4381114 0.60 L3MBTL1 (0.51) HRH3CYP3A4SMN1; SMN2TSHRMEN1
SCHEMBL4383145 0.60 L3MBTL1 (0.51) HRH3CYP3A4SMN1; SMN2TSHRMEN1

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 452/4885CYP3A4 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.