SCHEMBL25075218

SCHEMBL25075218

CC(C)C(=O)C1CCC(CN2CCN(C(C)C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HRH3 Q9Y5N1 6/20 0.36
KCNH2 Q12809 3/20 0.36
CYP2D6 P10635 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
CCR2 P41597 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL25075217 0.88 SMN1; SMN2 (0.42) KDM4EALDH1A1HRH3KCNH2SMN1; SMN2
SCHEMBL26494276 0.85 VCP (0.38) HRH3KCNH2CYP2D6SIGMAR1DRD2
SCHEMBL25075075 0.84 ACHE (0.53) ALDH1A1SMN1; SMN2ACHESIGMAR1DRD2
SCHEMBL10092699 0.83 CHRM5 (0.43) OPRM1OPRD1KDM4EALDH1A1TDP1
SCHEMBL25075224 0.82 MAOB (0.37) HRH3KCNH2CYP2D6SMN1; SMN2SIGMAR1
SCHEMBL26295541 0.81 SMN1; SMN2 (0.39) KDM4EALDH1A1SMN1; SMN2ACHESIGMAR1
SCHEMBL26295548 0.81 HRH3 (0.40) HRH3KCNH2CYP2D6SMN1; SMN2SIGMAR1
SCHEMBL25075223 0.81 HRH3 (0.41) ALDH1A1HRH3KCNH2CYP2D6
SCHEMBL25630718 0.81 ACHE (0.49) KDM4EALDH1A1SMN1; SMN2ACHESIGMAR1
SCHEMBL25758211 0.80 ACHE (0.50) OPRM1OPRD1KDM4EALDH1A1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177451-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES EnhancedBio Inc. (KR) 2023-09-21 WO disclosed
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES ENDOTARGET INC. 2023-09-21 US disclosed
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES ENDOTARGET INC. 2023-09-21 US disclosed
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. 2023-05-04 US disclosed
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. 2023-05-04 US disclosed
WO-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 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 (2 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-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES CDK6, CDK4, CDK1 OPRM1 3455/4885OPRD1 3773/4885KDM4E 946/4885
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, BCL9, CRBN OPRM1 4770/4885OPRD1 4750/4885KDM4E 551/4885

“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.