SCHEMBL6949607

SCHEMBL6949607

O=C(O)CCC1CCN(C(=O)OC/C=C/O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
CHRM4 P08173 2/20 0.37
F2R P25116 2/20 0.36
GAA P10253 1/20 0.36
FAAH O00519 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPP2 Q13822 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TEAD1 P28347 1/20 0.33

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
SCHEMBL9219963 0.81 GAA (0.54) TPSAB1TPSD1TPSG1GAASMN1; SMN2
SCHEMBL3310103 0.76 BRD4 (0.48) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL7824182 0.76 ALDH1A1 (0.37) GAASMN1; SMN2ALDH1A1THRBATM
SCHEMBL7824181 0.76 ALDH1A1 (0.37) GAASMN1; SMN2ALDH1A1THRBATM
SCHEMBL381974 0.74 KDM4E (0.53) FAAHSMN1; SMN2THRB
SCHEMBL4599331 0.73 ITGB3 (0.49) ITGB3ITGA2BF2RMEN1KMT2A
SCHEMBL6823133 0.73 SMN1; SMN2 (0.67) TPSAB1TPSD1TPSG1CHRM4FAAH
SCHEMBL9216792 0.73 GAA (0.51) ITGB3ITGA2BGAAFAAHSMN1; SMN2
SCHEMBL9217878 0.73 GAA (0.47) ITGB3ITGA2BF2RGAAMEN1
SCHEMBL6948530 0.72 SMN1; SMN2 (0.65) TPSAB1TPSD1TPSG1CHRM4FAAH

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-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2003-10-23 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-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 TPSAB1 1951/4885TPSD1 4038/4885TPSG1 4267/4885

“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.