SCHEMBL25448263

SCHEMBL25448263

CCCN(CCC)CCn1c(=O)c(C(=O)OCC)c(O)c2cc(Br)ccc21

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
LMNA P02545 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 2/20 0.53
CNR2 P34972 1/20 0.47
GSK3B P49841 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL15966796 0.85 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL25447997 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL15966805 0.81 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL24054558 0.81 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL30198363 0.81 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL24002894 0.80 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL30187102 0.80 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL25448728 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL22528411 0.74 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNAKDM4EGSK3B
SCHEMBL8358067 0.74 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2LMNAKDM4EHTT

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-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF TEON THERAPEUTICS, INC 2023-05-11 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-20230143502-A1 CANNABINOID RECEPTOR TYPE 2 (CB2) MODULATORS AND USES THEREOF CNR2, CNR1, GPR18 ALDH1A1 3600/4885SMN1; SMN2 3507/4885LMNA 3379/4885

“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.