SCHEMBL25075236

SCHEMBL25075236

CC(C)CC1CCN(C(=O)N2CCN(CC3CCN(C(C)C)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
KCNH2 Q12809 5/20 0.49
CYP2D6 P10635 2/20 0.48
CACNA2D1 P54289 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNB1 Q02641 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CACNA1C Q13936 1/20 0.38
CCR2 P41597 1/20 0.36
PIK3CD O00329 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL26295634 0.96 HRH3 (0.50) HRH3KCNH2CYP2D6CACNA2D1CACNA1B
SCHEMBL25075233 0.88 HRH3 (0.59) HRH3KCNH2CYP2D6
SCHEMBL26263562 0.85 HRH3 (0.50) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL26295638 0.85 HRH3 (0.50) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL25075216 0.84 SMN1; SMN2 (0.52) HRH3KCNH2KDM4EALDH1A1GAA
SCHEMBL26494068 0.83 ACHE (0.44) HRH3
SCHEMBL26295596 0.83 HRH3 (0.49) HRH3KCNH2CYP2D6KDM4E
SCHEMBL26295673 0.83 SMN1; SMN2 (0.45) HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL26295635 0.82 THRB (0.38) HRH3KCNH2CYP2D6CACNA2D1CACNA1B
SCHEMBL29291140 0.82 HRH3 (0.45) HRH3KCNH2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 2877/4885KCNH2 4819/4885CYP2D6 618/4885
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, BCL9, CRBN HRH3 3222/4885KCNH2 4681/4885CYP2D6 3924/4885

“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.