SCHEMBL684869

SCHEMBL684869

COCCn1nc2c(c1C(C)=O)C1CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
HSD11B1 P28845 1/20 0.33
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
GSK3B P49841 2/20 0.32
PDE10A Q9Y233 2/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 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
SCHEMBL679588 0.85 HPGD (0.35) KDM4EALDH1A1HPGD
SCHEMBL685627 0.76 CNR1 (0.34) CNR2CNR1HSD11B1CCNE1CDK2
SCHEMBL19615411 0.69 ALDH1A1 (0.33) PDE10ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL679858 0.69 ALDH1A1 (0.34) CNR2CNR1ALDH1A1
SCHEMBL679341 0.68 KMT2A (0.37) KDM4EALDH1A1HPGD
SCHEMBL678995 0.68 HSD17B10 (0.34) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL679546 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19615303 0.63 ALDH1A1 (0.34) PDE10ASMN1; SMN2ALDH1A1
SCHEMBL19635868 0.63 EPHX2 (0.35) KDM4EALDH1A1HPGD
SCHEMBL19635549 0.60 CNR1 (0.47) CNR2CNR1KDM4EALDH1A1HPGD

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 CNR2 3415/4885CNR1 2860/4885HSD11B1 1193/4885

“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.