SCHEMBL3226591

SCHEMBL3226591

CN1Cc2nccn2CC1=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.31
ADRA1D P25100 1/20 0.31
HRH1 P35367 1/20 0.30

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
SCHEMBL30210548 0.70 GAA (0.33)
SCHEMBL23349325 0.69
SCHEMBL2664632 0.68 SCD (0.36) ADRA1AADRA1D
SCHEMBL999429 0.67 ADRA1A (0.32) ADRA1AADRA1D
SCHEMBL23065253 0.65 ADRA1D (0.31) ADRA1AADRA1D
SCHEMBL19546734 0.65 BRD4 (0.43)
SCHEMBL13298015 0.65 BRD4 (0.43)
SCHEMBL19546202 0.65 BRD4 (0.43)
SCHEMBL14544573 0.65 BRD4 (0.43)
SCHEMBL124340 0.65 BRD4 (0.43)

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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 ADRA1A 2487/4885ADRA1D 1944/4885HRH1 1794/4885

“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.