SCHEMBL4500677

SCHEMBL4500677

CC1CCC(C)N1CCCS(=O)(=O)N1C[C@H]2[CH][C@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 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
SCHEMBL4515458 0.74 SMYD3 (0.40) HRH3
SCHEMBL4506004 0.73 HRH3 (0.31) HRH3
SCHEMBL4511202 0.73 HRH3 (0.39) HRH3
SCHEMBL4511299 0.72 IKBKB (0.33)
SCHEMBL4491512 0.68 IKBKB (0.31)
SCHEMBL4504695 0.67 PARP1 (0.38) HRH3
SCHEMBL23828681 0.66 HRH3 (0.41) HRH3HRH2HRH1
SCHEMBL23828667 0.66 HRH3 (0.41) HRH3HRH2HRH1
SCHEMBL4504251 0.66 SMYD3 (0.38)
SCHEMBL23828684 0.61 HRH3 (0.35) HRH3HRH2HRH1

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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 HRH3 3450/4885HRH2 2047/4885HRH1 2581/4885

“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.