SCHEMBL4395364

SCHEMBL4395364

CC1CC(C)CN(CCCN2CCN(CCN3CCOCC3)C2=C(C#N)C#N)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.59
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
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
SCHEMBL4392313 1.00 HRH3 (0.59) HRH3KDM4ELMNARAB9AALDH1A1
SCHEMBL4388533 0.99 HRH3 (0.56) HRH3KDM4ELMNARAB9AALDH1A1
SCHEMBL4383771 0.93 HRH3 (0.63) HRH3ALDH1A1
SCHEMBL4396189 0.90 HRH3 (0.73) HRH3ALDH1A1MAPTTSHR
SCHEMBL4396186 0.90 HRH3 (0.73) HRH3ALDH1A1MAPTTSHR
SCHEMBL4383854 0.90 HRH3 (0.61) HRH3ALDH1A1
SCHEMBL4383193 0.89 HRH3 (0.60) HRH3ALDH1A1
SCHEMBL4389078 0.89 HRH3 (0.76) HRH3ALDH1A1MAPTTSHR
SCHEMBL4389535 0.88 HRH3 (0.72) HRH3ALDH1A1MAPTTSHR
SCHEMBL4383979 0.87 HRH3 (0.75) HRH3KDM4EMAPTTSHR

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 1 patent. 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

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 452/4885KDM4E 418/4885LMNA 3566/4885

“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.