SCHEMBL4396189

SCHEMBL4396189

CC1CC(C)CN(CCN2CCN(CCCN3CCCC3)C2=C(C#N)C#N)C1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.73
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL4396186 1.00 HRH3 (0.73) HRH3MAPTUSP2TSHRALDH1A1
SCHEMBL4389078 0.99 HRH3 (0.76) HRH3MAPTUSP2TSHRALDH1A1
SCHEMBL4389535 0.97 HRH3 (0.72) HRH3MAPTUSP2TSHRALDH1A1
SCHEMBL4393764 0.96 HRH3 (0.74) HRH3MAPTUSP2TSHRALDH1A1
SCHEMBL4390589 0.96 HRH3 (0.74) HRH3MAPTUSP2TSHRALDH1A1
SCHEMBL4383771 0.95 HRH3 (0.63) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4383854 0.92 HRH3 (0.61) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4383193 0.91 HRH3 (0.60) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4392313 0.90 HRH3 (0.59) HRH3MAPTTSHRALDH1A1
SCHEMBL4395364 0.90 HRH3 (0.59) HRH3MAPTTSHRALDH1A1

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 452/4885MAPT 4474/4885USP2 3520/4885

“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.