SCHEMBL4382087

SCHEMBL4382087

CSC(=C(C#N)C#N)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPT P10636 10/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 4/20 0.39
GAA P10253 1/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL4386328 0.80 HRH3 (0.39)
SCHEMBL14422106 0.79 ALDH1A1 (0.35) MAPT
SCHEMBL4383756 0.78 L3MBTL3 (0.40)
SCHEMBL14401675 0.72 HRH3 (0.43) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL4384271 0.71 CHRM5 (0.40) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL4389771 0.69 RAD52 (0.38) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL14401648 0.69 CHRM5 (0.37) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL6187561 0.66 ALDH1A1 (0.36) MAPTTP53SMN1; SMN2
SCHEMBL3165975 0.66 CHRM5 (0.57) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL12506852 0.66 CHRM5 (0.52) CHRM5ADRA2CMAPTTP53THRB

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 CHRM5 3355/4885ADRA2C 3273/4885MAPT 4474/4885

“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.