SCHEMBL4388093

SCHEMBL4388093

CN(c1ccccc1)C1CCN(C(NCCN2CCCCC2)=C(C#N)C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.38
APP P05067 1/20 0.38
OPRD1 P41143 4/20 0.37
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4395992 0.80 HRH3 (0.49) HRH3SIGMAR1
SCHEMBL4384271 0.77 CHRM5 (0.40) TP53TSHR
SCHEMBL4383372 0.74 L3MBTL3 (0.42) HRH3TSHR
SCHEMBL4388973 0.72 HRH3 (0.44) HRH3MEN1KMT2ATSHR
SCHEMBL4389325 0.71 USP30 (0.37)
SCHEMBL4389771 0.70 RAD52 (0.38) HRH3MEN1KMT2ASIGMAR1TP53
SCHEMBL4381114 0.68 L3MBTL1 (0.51) HRH3MEN1KMT2ASIGMAR1TP53
SCHEMBL4383145 0.68 L3MBTL1 (0.51) HRH3MEN1KMT2ASIGMAR1TP53
SCHEMBL4381873 0.67 HRH3 (0.44) HRH3MEN1KMT2ATP53TSHR
SCHEMBL4381878 0.67 HRH3 (0.44) HRH3MEN1KMT2ATP53TSHR

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 452/4885MEN1 3396/4885POLB 1248/4885

“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.