SCHEMBL29680752

SCHEMBL29680752

CC(C)(C)OC(=O)NCCCN1CCN(c2ccc(N3CCC(=O)NC3=O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.55
DDB1 Q16531 2/20 0.52
CRBN Q96SW2 2/20 0.52
DRD4 P21917 7/20 0.49
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL26634940 0.87 DDB1 (0.51) DRD2DDB1CRBNSIGMAR1
SCHEMBL25123194 0.85 DDB1 (0.52) DRD2DDB1CRBN
SCHEMBL27197516 0.84 LMNA (0.47) DRD2DDB1CRBNDRD4
SCHEMBL24257354 0.83 DRD2 (0.66) DRD2DRD4SIGMAR1
SCHEMBL30908108 0.83 DDB1 (0.55) DRD2DDB1CRBN
SCHEMBL30741773 0.82 DRD2 (0.51) DRD2DDB1CRBNDRD4SIGMAR1
SCHEMBL30289405 0.82 DDB1 (0.54) DRD2DDB1CRBNSIGMAR1
SCHEMBL30981012 0.81 DDB1 (0.45) DRD2DDB1CRBNDRD4
SCHEMBL23142741 0.79 DDB1 (0.49) DRD2DDB1CRBN
SCHEMBL25035205 0.79 KCNA3 (0.44) DRD2DDB1CRBNSIGMAR1

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-20240124465-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2024-04-18 US disclosed
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 WO 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-20240124465-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION JAK2, JAK1, JAK3 DRD2 3059/4885DDB1 1696/4885CRBN 1406/4885

“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.