SCHEMBL4384271

SCHEMBL4384271

N#CC(C#N)=C(NCCN1CCCCC1)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.40
ADRA2C P18825 1/20 0.40
MAPT P10636 9/20 0.38
TP53 P04637 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
THRB P10828 3/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 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
SCHEMBL4389771 0.92 RAD52 (0.38) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL4381873 0.86 HRH3 (0.44) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL4381878 0.86 HRH3 (0.44) CHRM5ADRA2CMAPTTP53THRB
SCHEMBL4388973 0.86 HRH3 (0.44) MAPTCA12CA1CA2CA9
SCHEMBL4383372 0.84 L3MBTL3 (0.42) MAPTCA12CA1CA2CA9
SCHEMBL4396981 0.82 HRH3 (0.43) MAPTTSHR
SCHEMBL4383145 0.77 L3MBTL1 (0.51) TP53SMN1; SMN2TSHR
SCHEMBL4381114 0.77 L3MBTL1 (0.51) TP53SMN1; SMN2TSHR
SCHEMBL4388093 0.77 HRH3 (0.39) TP53TSHR
SCHEMBL14401648 0.76 CHRM5 (0.37) 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 4 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
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
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.