SCHEMBL29943128

SCHEMBL29943128

CC(C)(C)OC(=O)NC1CCN(C(=O)C2(c3ccccc3)CCN(c3cc(Cl)nnc3N)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 2/20 0.39
NAMPT P43490 1/20 0.39
PARP1 P09874 1/20 0.39
KCNA3 P22001 1/20 0.39
MCL1 Q07820 1/20 0.39
DRD3 P35462 1/20 0.39
HSD11B1 P28845 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL23301263 0.90 KCNH2 (0.43) OPRD1KCNH2HSD11B1CNR1CNR2
SCHEMBL29943200 0.88 PBRM1 (0.56) SMARCA2SMARCA4PBRM1
SCHEMBL29943226 0.86 SMARCA2 (0.54) CKS1BSKP1SKP2OPRD1KCNH2
SCHEMBL28810427 0.86 SMARCA2 (0.54) CKS1BSKP1SKP2OPRD1KCNH2
SCHEMBL23772837 0.83 CKS1B (0.47) CKS1BSKP1SKP2DRD2PARP1
SCHEMBL29942944 0.82 SMARCA2 (0.47) OPRD1KCNH2SMARCA2SMARCA4PBRM1
SCHEMBL23301272 0.82 SMARCA2 (0.47) OPRD1KCNH2SMARCA2SMARCA4PBRM1
SCHEMBL28810458 0.82 OPRD1 (0.43) OPRD1KCNH2TSHRHSD11B1CNR1
SCHEMBL23301640 0.81 OPRD1 (0.51) OPRD1KCNH2TSHRKMT2A
SCHEMBL29943255 0.81 OPRD1 (0.51) OPRD1KCNH2TSHRKMT2A

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-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 US disclosed
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 EP 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-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 CKS1B 612/4885SKP1 1328/4885SKP2 97/4885

“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.