SCHEMBL685547

SCHEMBL685547

COc1nn(C)c2c1C1CCC(C2)N1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
HTR6 P50406 5/20 0.37
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 1/20 0.31
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
SCHEMBL679592 0.77 SIGMAR1 (0.35) SIGMAR1HTR6SLC6A4SLC6A3KCNH2
SCHEMBL684859 0.75 SIGMAR1 (0.35) SIGMAR1HTR6MCHR1
SCHEMBL679784 0.70 CCNA2 (0.37) SLC6A4SLC6A3KCNH2MCHR1
SCHEMBL15028241 0.62 SLC6A4 (0.37) SIGMAR1HTR6SLC6A4SLC6A3KCNH2
SCHEMBL7967958 0.58
SCHEMBL25450535 0.56 SIGMAR1 (0.38) SIGMAR1SLC6A4SLC6A3KCNH2
SCHEMBL25464888 0.56 SIGMAR1 (0.38) SIGMAR1SLC6A4SLC6A3KCNH2
SCHEMBL7809777 0.55 CYP3A4 (0.36) SIGMAR1KCNH2
SCHEMBL7808288 0.55 HSD11B1 (0.45) SIGMAR1HTR6SLC6A4SLC6A3KCNH2
SCHEMBL7704785 0.54 CHRM2 (0.36) SLC6A4SLC6A3KCNH2

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 2188/4885SLC6A4 4700/4885

“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.