SCHEMBL679719

SCHEMBL679719

CN1C2CCC1c1c(C=O)nn(C)c1C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
HTR6 P50406 5/20 0.35
MAPK1 P28482 1/20 0.33
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MCHR1 Q99705 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
SCHEMBL685547 0.75 SIGMAR1 (0.38) SIGMAR1HTR6SLC6A4SLC6A3MCHR1
SCHEMBL684859 0.75 SIGMAR1 (0.35) SIGMAR1HTR6MCHR1
SCHEMBL679592 0.74 SIGMAR1 (0.35) SIGMAR1HTR6SLC6A4SLC6A3
SCHEMBL679784 0.70 CCNA2 (0.37) SLC6A4SLC6A3MCHR1
SCHEMBL685603 0.62 SIGMAR1 (0.35) SIGMAR1
SCHEMBL680166 0.62
SCHEMBL7967958 0.62
Oxalic Acid SCHEMBL9404317 0.61 SLC6A4 (0.37) MAPK1SLC6A4SLC6A3
SCHEMBL20673870 0.61
SCHEMBL20674455 0.59 GRM5 (0.36)

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 SIGMAR1 3434/4885HTR6 2188/4885MAPK1 4390/4885

“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.