SCHEMBL4389073

SCHEMBL4389073

CC(C)N1CCC(NC(=C(C#N)C#N)N2CCC(N3CCCCC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
CYP2D6 P10635 1/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
L3MBTL3 Q96JM7 4/20 0.33
MBTD1 Q05BQ5 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4388604 0.82 CYP2D6 (0.36) HRH3CYP2D6
SCHEMBL4394004 0.75 HRH3 (0.34) HRH3CYP2D6ALDH1A1
SCHEMBL4387828 0.75 L3MBTL3 (0.38) HRH3CYP2D6CYP3A4CYP2C19L3MBTL3
SCHEMBL4387949 0.74 DPP7 (0.55) ALDH1A1SIGMAR1L3MBTL3MBTD1L3MBTL1
SCHEMBL8263855 0.73 L3MBTL3 (0.47) HRH3CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL278657 0.73 L3MBTL3 (0.47) HRH3CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL8255448 0.73 L3MBTL3 (0.47) HRH3CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL4382950 0.72 ALDH1A1 (0.42) HRH3CYP2D6CYP3A4ALDH1A1
SCHEMBL8259607 0.72 L3MBTL3 (0.46) HRH3CYP2D6CYP2C19ALDH1A1L3MBTL3
SCHEMBL3439846 0.72 L3MBTL3 (0.48) HRH3CYP2D6CYP2C19L3MBTL3MBTD1

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 3 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

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 452/4885CYP2D6 1166/4885CYP3A4 3442/4885

“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.