SCHEMBL685627

SCHEMBL685627

COCCn1nc(C(C)=O)c2c1C1CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
PDE10A Q9Y233 2/20 0.31
IGF1R P08069 1/20 0.31
HSD11B1 P28845 1/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
GSK3B P49841 1/20 0.31
NTRK1 P04629 1/20 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
SCHEMBL678995 0.85 HSD17B10 (0.34) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL679858 0.80 ALDH1A1 (0.34) CNR1CNR2ALDH1A1
SCHEMBL679546 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL684869 0.76 CNR2 (0.34) CNR1CNR2PDE10AHSD11B1CCNE1
SCHEMBL1432852 0.71 NPC1 (0.41) CNR1CNR2LMNAKDM4EALDH1A1
SCHEMBL19615765 0.69 ALDH1A1 (0.33) PDE10AIGF1RSMN1; SMN2KDM4EALDH1A1
SCHEMBL684867 0.68
SCHEMBL679588 0.68 HPGD (0.35) KDM4EALDH1A1HPGD
SCHEMBL19635553 0.67 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL14487732 0.67 PDE4A (0.35) KDM4EALDH1A1HPGD

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 CNR1 2860/4885CNR2 3415/4885PDE10A 1214/4885

“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.