SCHEMBL25253147

SCHEMBL25253147

O=C(O)CCC1COCC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGB2 P05107 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGB5 P18084 1/20 0.39
ITGAL P20701 1/20 0.39
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
FOLH1 Q04609 1/20 0.33
TDP1 Q9NUW8 4/20 0.32
ABL1 P00519 2/20 0.31
IDE P14735 2/20 0.31
RIN1 Q13671 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL18998241 0.80 MGLL (0.35) MGLLITGB1ITGA5ITGB3ITGB2
SCHEMBL1003733 0.77 MGLL (0.33) MGLLIRAK4L3MBTL1
SCHEMBL1003734 0.77 MGLL (0.33) MGLLIRAK4L3MBTL1
SCHEMBL2423334 0.76
SCHEMBL16098124 0.76
SCHEMBL17823935 0.76
SCHEMBL25254019 0.75 HTT (0.38) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL25291800 0.75 HTT (0.38) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL25255171 0.75 HTT (0.38) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL8110734 0.74 ALDH1A1 (0.41) MGLLHTTIRAK4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 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 (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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY MGLL 996/4885ITGB1 3738/4885ITGA5 3646/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY MGLL 996/4885ITGB1 3738/4885ITGA5 3646/4885

“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.