SCHEMBL679784

SCHEMBL679784

CCOC(=O)c1nn(C)c2c1C1CCC(C2)N1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
TP53 P04637 1/20 0.34
ALOX12 P18054 1/20 0.34
ELANE P08246 2/20 0.34
KCNH2 Q12809 1/20 0.34
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK6 Q00534 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DRD3 P35462 2/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL31700156 0.83 CHRM2 (0.37) CCNA2CDK2TP53KMT2AADORA1
SCHEMBL31699365 0.78 ATM (0.35) CCNA2CDK2ELANEKMT2A
SCHEMBL679621 0.78 SLC6A4 (0.35) SLC6A4SLC6A3KCNH2KMT2A
SCHEMBL31699427 0.74 CCNA2 (0.37) CCNA2CDK2TP53ALOX12ELANE
SCHEMBL31700087 0.74 CCNA2 (0.37) CCNA2CDK2TP53ALOX12ELANE
SCHEMBL31700256 0.74 GLA (0.35) CCNA2CDK2KMT2AADORA1
SCHEMBL684859 0.73 SIGMAR1 (0.35) MCHR1
SCHEMBL31699754 0.72 CCNA2 (0.36) CCNA2CDK2TP53ALOX12ELANE
SCHEMBL679592 0.72 SIGMAR1 (0.35) SLC6A4SLC6A3KCNH2
SCHEMBL679150 0.70 CCNA2 (0.39) CCNA2CDK2TP53ALOX12ELANE

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 CCNA2 646/4885CDK2 230/4885SLC6A4 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.