SCHEMBL5069135

SCHEMBL5069135

COc1cccc(C(O)CCNC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.62
MTNR1B P49286 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
AOC3 Q16853 2/20 0.56
CASR P41180 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALPL P05186 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
GRIN2B Q13224 1/20 0.46

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
SCHEMBL28053008 0.89 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL5065146 0.86 AOC3 (0.67) MTNR1AMTNR1BL3MBTL1AOC3CHRM2
SCHEMBL13997818 0.83 MTNR1A (0.53) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL19407140 0.82 AOC3 (0.61) MTNR1AMTNR1BL3MBTL1AOC3CHRM2
SCHEMBL4596067 0.82 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL16149869 0.82 KMT2A (0.55) MEN1KMT2A
SCHEMBL11436414 0.81 L3MBTL1 (0.62) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL11436413 0.81 L3MBTL1 (0.62) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL11436469 0.81 L3MBTL1 (0.62) MTNR1AMTNR1BL3MBTL1AOC3CASR
SCHEMBL3584798 0.80 L3MBTL1 (0.61) MTNR1AMTNR1BL3MBTL1AOC3CASR

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 MTNR1A 4039/4885MTNR1B 3427/4885L3MBTL1 1699/4885

“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.