SCHEMBL29784238

SCHEMBL29784238

COC1CCN(c2nc3ccccc3o2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
LMNA P02545 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 4/20 0.49
TSHR P16473 3/20 0.48
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
ACACB O00763 1/20 0.47
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE10A Q9Y233 1/20 0.46
NAAA Q02083 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL7921406 0.84 LMNA (0.51) MGLLLMNASMN1; SMN2HTTKMT2A
SCHEMBL20296054 0.82
SCHEMBL18344005 0.82
SCHEMBL7926549 0.79 LMNA (0.54) LMNASMN1; SMN2HTTKMT2AGAA
SCHEMBL22657643 0.79 CHRNA7 (0.51) LMNASMN1; SMN2HTTKMT2AGAA
SCHEMBL13810054 0.79 LMNA (0.56) LMNASMN1; SMN2HTTKMT2AGAA
SCHEMBL23698043 0.78 MGLL (0.64) MGLLLMNASMN1; SMN2KMT2ATSHR
SCHEMBL29784335 0.77 MGLL (0.55) MGLLLMNASMN1; SMN2HTTKMT2A
SCHEMBL31473673 0.77 LMNA (0.57) LMNASMN1; SMN2HTTKMT2AGAA
SCHEMBL12506010 0.76 LMNA (0.60) MGLLLMNASMN1; SMN2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG MGLL 10/4885LMNA 1960/4885SMN1; SMN2 1928/4885

“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.