SCHEMBL21064463

SCHEMBL21064463

C=C(CCCNC(C)=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
ADRA1A P35348 1/20 0.47
PAOX Q6QHF9 3/20 0.44
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
FOLH1 Q04609 1/20 0.35
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 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
SCHEMBL24606379 0.79
SCHEMBL13176792 0.77 KDM4E (0.58) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL14724285 0.74 EPHX1 (0.33)
SCHEMBL378843 0.73 KDM4E (0.54) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL1687734 0.73 KDM4E (0.67) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL24910867 0.72 HRH4 (0.33) KDM4E
SCHEMBL1900471 0.72 KDM4E (0.82) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL860791 0.72 KDM4E (0.94) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL21663261 0.72 KDM4E (0.64) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL21534373 0.72 ADRA1A (0.34) KDM4EMAPK1HIF1AADRA1AALDH1A1

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-10308609-B2 Bicyclic compounds Zeno Royalties & Milestones, LLC (US) 2019-06-04 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-10308609-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 KDM4E 3294/4885MAPK1 4411/4885HIF1A 1667/4885

“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.