SCHEMBL25829095

SCHEMBL25829095

CCCCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.45
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 2/20 0.39
S1PR4 O95977 1/20 0.39
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL23945989 0.89 MGLL (0.43) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL22856550 0.88 MGLL (0.47) MGLLCHRM3
SCHEMBL26404934 0.87 MGLL (0.40) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL25707225 0.87 MGLL (0.43) MGLLHRH2HRH1CHRM3ALDH1A1
SCHEMBL24029692 0.83 MGLL (0.44) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL25887901 0.82 L3MBTL1 (0.47) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL25730280 0.82 MGLL (0.39) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL25927198 0.81 MGLL (0.39) MGLLS1PR1S1PR3S1PR5S1PR4
SCHEMBL26408514 0.81 MGLL (0.44) MGLLCHRM3ALDH1A1TSHRL3MBTL1
SCHEMBL25701896 0.81 MGLL (0.38) MGLLS1PR1S1PR3S1PR5S1PR4

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-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 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 (3 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 MGLL 2676/4885HRH2 3990/4885HRH1 2453/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MGLL 1244/4885HRH2 4373/4885HRH1 3626/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MGLL 1244/4885HRH2 4373/4885HRH1 3626/4885

“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.