SCHEMBL24904230

SCHEMBL24904230

CC(C)C(=O)NC1CC(CC(C)C(=O)NC2CCN(C)CC2)CC1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRM1 P11229 1/20 0.33
FPR2 P25090 1/20 0.32
EPHX2 P34913 3/20 0.32
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 0.32
DRD3 P35462 4/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL24903989 0.82 ACKR3 (0.39) KDM4E
SCHEMBL21361205 0.80 CHRNB4 (0.33) CHRNB4CHRNA3
SCHEMBL9891797 0.77 KDM4E (0.51) KDM4ECHRM1FPR2EPHX2
SCHEMBL23137982 0.76 KMT2A (0.41) EPHX2DRD2HTR2ADRD3NAMPT
SCHEMBL21361191 0.75 KDM5A (0.34) KDM4ECHRNB4CHRNA3CHRM1
SCHEMBL22965461 0.74 KAT2B (0.34) KDM4E
SCHEMBL19736266 0.74 EPHX1 (0.41) KDM4EEPHX2
SCHEMBL24963547 0.72 EPHX1 (0.43) KDM4EEPHX2
SCHEMBL10098777 0.72 CHRNB4 (0.54) KDM4ECHRNB4CHRNA3FPR2EPHX2
SCHEMBL16078081 0.71 KDM5A (0.45) KDM4ECHRM1FPR2

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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA KDM4E 617/4885CHRNB4 3905/4885CHRNA3 3880/4885

“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.