SCHEMBL24706552

SCHEMBL24706552

COC(=O)CCOCCC(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 8/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.45
GRIN2B Q13224 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44

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
SCHEMBL24706551 0.86 L3MBTL1 (0.61) L3MBTL1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL23693070 0.82 L3MBTL1 (0.62) L3MBTL1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL25773741 0.81 HTT (0.61) L3MBTL1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL23693073 0.81 NPC1 (0.40) L3MBTL1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL4111032 0.80 HTT (0.62) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29234166 0.80 HTT (0.56) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13548728 0.79 L3MBTL1 (0.79) L3MBTL1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL21322119 0.79 GRM5 (0.60) L3MBTL1NPC1MAPTGAAGRM5
SCHEMBL4814264 0.79 MEN1 (0.76) L3MBTL1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL3970912 0.79 MEN1 (0.76) L3MBTL1HTTSMN1; SMN2NPC1RAB9A

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
CN-114981259-B Novel heterocyclic compound 豪夫迈·罗氏有限公司 2024-06-18 CN disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
CN-114981259-A Novel heterocyclic compound 豪夫迈·罗氏有限公司 2022-08-30 CN 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-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS MRPL21, F12, MRPS34 L3MBTL1 2395/4885HTT 1708/4885SMN1; SMN2 2004/4885

“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.