SCHEMBL29607448

SCHEMBL29607448

O=C1CCCCN(Cc2ccccc2)N1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.78
L3MBTL1 Q9Y468 2/20 0.53
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
ALOX5 P09917 8/20 0.47
G6PD P11413 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL11136048 0.88 GAA (1.00) GAAL3MBTL1DDB1CRBNALOX5
SCHEMBL3860653 0.72 GAA (0.53) GAAL3MBTL1DDB1CRBNSIGMAR1
SCHEMBL18768681 0.72 SIGMAR1 (0.53) GAAL3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL4369976 0.71 GAA (0.60) GAADDB1CRBNG6PDALOX15
SCHEMBL11145198 0.71 GAA (0.64) GAAL3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL6272610 0.70 SIGMAR1 (0.52) GAAL3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL596252 0.70 L3MBTL1 (0.96) GAAL3MBTL1DDB1CRBNACHE
SCHEMBL10512680 0.70 ALOX5 (0.73) GAAALOX5G6PDALOX15ALOX12
SCHEMBL14423336 0.69 SIGMAR1 (0.55) GAASIGMAR1MEN1KMT2AALDH1A1
SCHEMBL7269112 0.69 L3MBTL1 (1.00) GAAL3MBTL1DDB1CRBNACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 US disclosed
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-04-21 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-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 GAA 787/4885L3MBTL1 4612/4885DDB1 1168/4885
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 GAA 787/4885L3MBTL1 4612/4885DDB1 1168/4885

“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.