SCHEMBL4389855

SCHEMBL4389855

CC1CCCN1C1CCN(C(NCCCN2CCCCC2)=C(C#N)C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
RAD52 P43351 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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 0.84 L3MBTL1 (0.51) HRH3L3MBTL1L3MBTL3SMN1; SMN2RAD52
SCHEMBL4381114 0.84 L3MBTL1 (0.51) HRH3L3MBTL1L3MBTL3SMN1; SMN2RAD52
SCHEMBL4386340 0.80 HRH3 (0.39) HRH3L3MBTL1L3MBTL3CYP1A2CYP3A4
SCHEMBL4389771 0.79 RAD52 (0.38) HRH3L3MBTL1L3MBTL3SMN1; SMN2RAD52
SCHEMBL4383440 0.79 L3MBTL3 (0.44) HRH3L3MBTL1L3MBTL3SMN1; SMN2CYP3A4
SCHEMBL4396981 0.79 HRH3 (0.43) HRH3L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL4382122 0.78 CYP1A2 (0.43) L3MBTL1L3MBTL3SMN1; SMN2RAD52TP53
SCHEMBL4388125 0.77 GAA (0.45) L3MBTL1L3MBTL3SMN1; SMN2TSHRMEN1
SCHEMBL4383372 0.77 L3MBTL3 (0.42) HRH3L3MBTL1L3MBTL3TSHR
SCHEMBL4388973 0.76 HRH3 (0.44) HRH3TSHRMEN1KMT2ANPC1

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 452/4885L3MBTL1 2665/4885L3MBTL3 1965/4885

“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.