SCHEMBL27201656

SCHEMBL27201656

CC(C)(C)OC(=O)N1CCC=C(c2ccccc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.47
MAPK1 P28482 1/20 0.45
DGAT2 Q96PD7 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
ESR2 Q92731 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NR1H2 P55055 2/20 0.40
NAMPT P43490 2/20 0.40
KDM1A O60341 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
DTYMK P23919 1/20 0.38
PDK2 Q15119 1/20 0.38
UCHL1 P09936 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 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
SCHEMBL31120842 0.87 PDK4 (0.55) PDK4MAPK1GPR119CHRM2CHRM4
SCHEMBL26074064 0.87 PDK4 (0.55) PDK4MAPK1GPR119CHRM2CHRM4
SCHEMBL3642252 0.85 PDK4 (0.47) PDK4MAPK1DGAT2GPR119ESR2
SCHEMBL15595098 0.84 PDK4 (0.47) PDK4MAPK1DGAT2GPR119ESR2
SCHEMBL22944326 0.83 PDK4 (0.48) PDK4MAPK1DGAT2GPR119ESR2
SCHEMBL6352947 0.82 MAPK1 (0.49) PDK4MAPK1GPR119ESR2NR1H2
SCHEMBL17268510 0.80 PDK4 (0.68) PDK4NAMPTGRM5GRM1
SCHEMBL27201488 0.80 KIF11 (0.36) MAPK1
SCHEMBL24710927 0.80 PDK4 (0.45) PDK4MAPK1DGAT2GPR119ESR2
SCHEMBL22944628 0.80 NAMPT (0.48) PDK4MAPK1GPR119ESR2NR1H2

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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP PDK4 505/4885MAPK1 1610/4885DGAT2 2887/4885

“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.