SCHEMBL25075231

SCHEMBL25075231

CC(C)C(=O)N1CCN(CCCN2CCN(C(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRM1 P11229 2/20 0.42
HRH3 Q9Y5N1 7/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.38
MTNR1B P49286 1/20 0.38
DAO P14920 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
SCHEMBL26295517 0.93 POLB (0.48) HRH2HRH1POLBRXFP1CHRM1
SCHEMBL4546644 0.85 CHRM1 (0.47) CHRM1HRH3KCNH2CYP2D6
SCHEMBL26295530 0.84 FAAH (0.43) MAOBHRH2HRH1POLBRXFP1
SCHEMBL26295527 0.84 FAAH (0.46) MAOBHRH2HRH1HRH3KCNH2
SCHEMBL1098571 0.82 HRH2 (0.46) HRH2HRH1POLBRXFP1HRH3
SCHEMBL1098569 0.82 HRH2 (0.46) HRH2HRH1POLBRXFP1HRH3
SCHEMBL20621097 0.82 HRH2 (0.55) HRH2HRH1POLBRXFP1TP53
SCHEMBL23349399 0.81 MAOB (0.56) MAOBHRH3TP53SMN1; SMN2DAO
SCHEMBL6658550 0.81 MAOB (0.56) MAOBHRH3TP53SMN1; SMN2DAO
SCHEMBL23842013 0.81 HRH2 (0.45) HRH2HRH1POLBRXFP1HRH3

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
WO-2023177451-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES EnhancedBio Inc. (KR) 2023-09-21 WO 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 MAOB 2686/4885HRH2 4082/4885HRH1 2607/4885
US-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, BCL9, CRBN MAOB 1668/4885HRH2 3698/4885HRH1 3327/4885

“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.