SCHEMBL25081867

SCHEMBL25081867

CC(C)N1CCOC(CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.40
PDK1 Q15118 2/20 0.39
PRKCB P05771 2/20 0.33
PRKCG P05129 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL16000544 0.83 HRH3 (0.51) HRH3PDK1CCR2KCNH2
SCHEMBL104093 0.83 HRH3 (0.51) HRH3PDK1CCR2KCNH2
SCHEMBL16000558 0.83 HRH3 (0.51) HRH3PDK1CCR2KCNH2
SCHEMBL25081770 0.83 HRH3 (0.41) HRH3CCR2KCNH2
SCHEMBL25081887 0.81 HRH3 (0.40) HRH3
SCHEMBL26938041 0.79 HRH3 (0.38) HRH3PRKCBPRKCGPRKCAPRKCH
SCHEMBL26938042 0.79 HRH3 (0.44) HRH3PDK1
SCHEMBL26938053 0.79 HRH3 (0.44) HRH3PDK1
SCHEMBL26938051 0.79 HRH3 (0.44) HRH3PDK1
SCHEMBL25081823 0.77 HRH3 (0.38) HRH3

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-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
WO-2023020519-A1 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 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 (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-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 HRH3 662/4885PDK1 1650/4885PRKCB 3988/4885

“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.