SCHEMBL4382296

SCHEMBL4382296

CC(C)(C)OC(=O)N1CCC(N2CCN(CCCN3CCCCC3)C2=C(C#N)C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NSD2 O96028 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
LMNA P02545 1/20 0.39
EPHX1 P07099 1/20 0.37
GPR119 Q8TDV5 2/20 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
SCHEMBL4383288 0.86 HRH3 (0.56) HRH3TP53HPGDMEN1ALDH1A1
SCHEMBL4386731 0.83 HRH3 (0.58) HRH3HPGDMEN1ALDH1A1KMT2A
SCHEMBL4384351 0.82 HRH3 (0.67) HRH3MAPT
SCHEMBL4388977 0.82 TP53 (0.42) TP53HPGDMEN1ALDH1A1MAPT
SCHEMBL4387707 0.82 TP53 (0.43) HRH3TP53HPGDMEN1ALDH1A1
SCHEMBL4388053 0.80 TP53 (0.46) TP53GPR119
SCHEMBL4394460 0.80 HRH3 (0.57) HRH3MEN1KMT2A
SCHEMBL4389793 0.79 HRH3 (0.65) HRH3MEN1MAPTKMT2A
SCHEMBL4389717 0.79 HRH3 (0.65) HRH3
SCHEMBL4388628 0.79 HRH3 (0.65) HRH3ALDH1A1MAPT

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 452/4885TP53 2329/4885HPGD 349/4885

“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.