SCHEMBL26494372

SCHEMBL26494372

CC(C)C[C@H]1CCN(CCCC(=O)N2CCN(C(C)C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
KCNH2 Q12809 2/20 0.38
GNAI3 P08754 4/20 0.37
GNAO1 P09471 4/20 0.37
GNAI1 P63096 4/20 0.37
KDM1A O60341 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 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
SCHEMBL26494371 1.00 NPC1 (0.40) NPC1PDCD1CD274HRH3KCNH2
SCHEMBL26494171 1.00 NPC1 (0.40) NPC1PDCD1CD274HRH3KCNH2
SCHEMBL25075143 0.92 HRH3 (0.39) NPC1HRH3KCNH2GNAI3GNAO1
SCHEMBL26494084 0.92 NPC1 (0.42) NPC1PDCD1CD274HRH3KCNH2
SCHEMBL26496254 0.92 HRH3 (0.39) NPC1HRH3KCNH2GNAI3GNAO1
SCHEMBL26494162 0.92 HRH3 (0.39) NPC1HRH3KCNH2GNAI3GNAO1
SCHEMBL26494193 0.91 HRH3 (0.40) NPC1PDCD1CD274HRH3KCNH2
SCHEMBL26499180 0.89 GNAI3 (0.40) NPC1PDCD1CD274HRH3KCNH2
SCHEMBL25075106 0.87 NPC1 (0.56) NPC1PDCD1CD274HRH3KCNH2
SCHEMBL25075138 0.85 NPC1 (0.43) NPC1PDCD1CD274GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230137175-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE BTK, BCL9, CRBN NPC1 4398/4885PDCD1 869/4885CD274 1814/4885

“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.