SCHEMBL4382138

SCHEMBL4382138

CC1CC(C)CN(CCCN2CCN(CCCN3CCN(C)CC3)C2=C(C#N)C#N)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.58
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
MAOB P27338 1/20 0.33
HTR7 P34969 4/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31

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
SCHEMBL4383193 0.97 HRH3 (0.60) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4383854 0.93 HRH3 (0.61) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4389535 0.91 HRH3 (0.72) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4383771 0.91 HRH3 (0.63) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4393764 0.90 HRH3 (0.74) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4390589 0.90 HRH3 (0.74) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4389440 0.90 HRH3 (0.58) HRH3
SCHEMBL4396186 0.89 HRH3 (0.73) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4396189 0.89 HRH3 (0.73) HRH3ALDH1A1POLBTHRBSMN1; SMN2
SCHEMBL4394052 0.88 HRH3 (0.73) HRH3ALDH1A1CSNK2A2CSNK2BCSNK2A1

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 452/4885ALDH1A1 395/4885POLB 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.