SCHEMBL4228928

SCHEMBL4228928

CN(C)CCN(Cc1ccccc1)c1ccnc(N(CCN(C)C)Cc2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.67
ADRA2A P08913 4/20 0.67
DRD1 P21728 4/20 0.67
SLC6A4 P31645 4/20 0.67
SLC6A3 Q01959 4/20 0.67
KCNH2 Q12809 4/20 0.67
SLC6A2 P23975 3/20 0.67
HTR2A P28223 3/20 0.67
HRH1 P35367 3/20 0.67
ADRA1A P35348 2/20 0.67
ADRA2B P18089 2/20 0.67
ADRA2C P18825 1/20 0.67
OPRK1 P41145 1/20 0.67
KDM4E B2RXH2 5/20 0.65
LMNA P02545 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAPK1 P28482 2/20 0.65
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
OPRM1 P35372 3/20 0.53

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
Tripelennamine SCHEMBL17970 0.80 CHRM2 (1.00) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL29600775 0.80 CHRM2 (1.00) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL29363256 0.79 KDM4E (1.00) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL1652325 0.79 CHRM2 (0.97) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL98916 0.79 KDM4E (1.00) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL2955098 0.79 CHRM2 (0.54) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Tripelennamine SCHEMBL15270438 0.75 CHRM2 (0.89) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Pyrilamine SCHEMBL4075657 0.75 LMNA (0.90) CHRM2ADRA2ADRD1SLC6A4SLC6A3
Chloropyramine SCHEMBL13723581 0.73 CYP2D6 (0.95) CHRM2ADRA2ADRD1SLC6A4SLC6A3
SCHEMBL12667801 0.73 LMNA (0.68) CHRM2ADRA2ADRD1SLC6A4SLC6A3

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-20090124645-A1 Novel Pyrimidine-2,4-Diamine Derivatives and their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-05-14 US claimed
US-20090124645-A1 Novel Pyrimidine-2,4-Diamine Derivatives and their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-05-14 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-20090124645-A1 Novel Pyrimidine-2,4-Diamine Derivatives and their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels KCNN2, KCNN1, KCNN3 CHRM2 1704/4885ADRA2A 710/4885DRD1 1077/4885

“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.