SCHEMBL26295641

SCHEMBL26295641

CC(C)C1CCN(C(=O)N2CCN(CCC3CCN(C(C)C)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.49
KCNH2 Q12809 4/20 0.49
CYP2D6 P10635 2/20 0.49
CHRM3 P20309 2/20 0.41
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
HSD11B1 P28845 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
VCP P55072 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 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
SCHEMBL26263767 0.96 HRH3 (0.50) HRH3KCNH2CYP2D6CHRM3DRD2
SCHEMBL26295658 0.92 HRH3 (0.47) HRH3KCNH2CYP2D6CHRM3DRD2
SCHEMBL26295653 0.89 HRH3 (0.53) HRH3KCNH2CYP2D6GNAI3GNAO1
SCHEMBL26295651 0.89 CHRM3 (0.40) HRH3KCNH2CYP2D6CHRM3DRD2
SCHEMBL26295662 0.88 HRH3 (0.48) HRH3KCNH2CYP2D6CHRM3DRD2
SCHEMBL26295640 0.88 HRH3 (0.55) HRH3KCNH2CYP2D6CHRM3
SCHEMBL26295663 0.86 HRH3 (0.50) HRH3KCNH2CYP2D6GNAI3GNAO1
SCHEMBL26295656 0.85 HRH3 (0.52) HRH3KCNH2CYP2D6CHRM3
SCHEMBL26295685 0.85 HRH3 (0.43) HRH3KCNH2CYP2D6DRD2DRD3
SCHEMBL26494065 0.84 HRH3 (0.39) HRH3VCPGNAO1

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 3 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

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.