SCHEMBL679150

SCHEMBL679150

CCOC(=O)c1nn(C)c2c1C1CCC2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
ELANE P08246 4/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL679182 0.92 CCNA2 (0.37) CCNA2CDK2ELANEGAAKMT2A
SCHEMBL30130701 0.84 ELANE (0.38) ELANEGAAKMT2AADORA3ADORA2A
SCHEMBL30130685 0.81 ELANE (0.36) CCNA2CDK2ELANEGAAKMT2A
SCHEMBL25431438 0.79 CSNK1D (0.44) CCNA2CDK2ELANEGAAADORA3
SCHEMBL27006523 0.79 ALDH1A1 (0.40) ELANEGAAKMT2AADORA3ADORA2A
SCHEMBL27133315 0.79 ALDH1A1 (0.40) ELANEGAAKMT2AADORA3ADORA2A
SCHEMBL1412525 0.78 KMT2A (0.46) ELANEKMT2ATP53ALOX12RAB9A
SCHEMBL27006438 0.76 KDM4E (0.40) ELANEGAAADORA3ADORA2AADORA1
SCHEMBL4936297 0.76 SLC5A1 (0.47) CCNA2CDK2KMT2ATP53ALOX12
SCHEMBL4933764 0.76 KMT2A (0.52) ELANEGAAKMT2ATP53ALOX12

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 2 patents. 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
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 230/4885ELANE 169/4885

“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.