SCHEMBL684877

SCHEMBL684877

CC(=O)c1n[nH]c2c1C1CCC2C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 18/20 0.44
SLC6A4 P31645 1/20 0.35
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL1431657 0.84 HCAR2 (0.57) HCAR2SLC6A4
SCHEMBL21995952 0.84 HCAR2 (0.57) HCAR2SLC6A4
SCHEMBL4933770 0.83 HCAR2 (0.44) HCAR2SLC6A4CCNE2CCNE1CDK2
SCHEMBL24877924 0.79 KDM4E (0.43) HCAR2
SCHEMBL679590 0.79 KDM4E (0.43) HCAR2
SCHEMBL1433023 0.72 CDK2 (0.50) HCAR2CDK2
SCHEMBL21686207 0.72 HCAR2 (0.31) HCAR2
SCHEMBL14452806 0.64 HCAR2 (0.76) HCAR2
SCHEMBL3958134 0.63 SLC6A3 (0.35)
SCHEMBL17478495 0.62 HCAR2 (0.66) HCAR2SLC6A4

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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 HCAR2 2789/4885SLC6A4 4700/4885CCNE2 179/4885

“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.