SCHEMBL25075216

SCHEMBL25075216

CC(C)CC1CCN(C(=O)C2CCN(CC3CCN(C(C)C)CC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HRH3 Q9Y5N1 4/20 0.45
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.36
HSD11B1 P28845 1/20 0.35
ACKR3 P25106 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL26295619 0.92 HRH3 (0.51) SMN1; SMN2HRH3ALDH1A1KDM4EKCNH2
SCHEMBL26295673 0.91 SMN1; SMN2 (0.45) SMN1; SMN2HRH3ALDH1A1KCNH2HSD11B1
SCHEMBL25074969 0.87 SMN1; SMN2 (0.52) SMN1; SMN2HRH3ALDH1A1KDM4EGAA
SCHEMBL26494068 0.84 ACHE (0.44) HRH3
SCHEMBL26295621 0.84 HRH3 (0.45) SMN1; SMN2HRH3
SCHEMBL25075077 0.84 HRH3 (0.44) HRH3ALDH1A1KCNH2HSD11B1L3MBTL1
SCHEMBL25075236 0.84 HRH3 (0.49) HRH3ALDH1A1KDM4EGAAKCNH2
SCHEMBL26494270 0.84 HRH3 (0.44) HRH3ALDH1A1KCNH2HSD11B1SIGMAR1
SCHEMBL26494271 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EGAAHSD11B1
SCHEMBL26295634 0.82 HRH3 (0.50) HRH3ALDH1A1KDM4EGAAKCNH2

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 SMN1; SMN2 1899/4885HRH3 2877/4885ALDH1A1 2308/4885
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, BCL9, CRBN SMN1; SMN2 4438/4885HRH3 3222/4885ALDH1A1 3935/4885

“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.